Research chemical
CAS Number: 100833-45-2
![4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid molecular structure, CAS 100833-45-2](/structure-images/100833-45-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2775238
Exact Mass
306.183109
InChIKey
SLXMWMVPAKQKJT-UHFFFAOYSA-N
IUPAC Name
4-(4-octoxyphenyl)-4-oxobutanoic acid
SMILES String
CCCCCCCCOc1ccc(C(=O)CCC(=O)O)cc1
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid is identified by CAS 100833-45-2, with molecular formula C18H26O4, molecular weight 306.4, InChIKey SLXMWMVPAKQKJT-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
XLogP
4.8
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
22
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
12
Ring count
1
Aromatic rings
1
Topological polar surface area
63.6 Ų
Computed LogP
4.47
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid (CAS 100833-45-2) is listed in the Advanced Chemicals portfolio, with molecular formula C18H26O4 and molecular weight 306. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows.
Documentation needs
Consult the supplier SDS before handling; For research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.