Research chemical
CAS Number: 245653-51-4
![4-[4-(1,1-Dimethylethyl)phenyl]-2,3-dihydro-2-methyl-1H-inden-1-one molecular structure, CAS 245653-51-4](/structure-images/245653-51-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
22173297
Exact Mass
278.167065
InChIKey
BLWBKQXLHRVDNV-UHFFFAOYSA-N
IUPAC Name
4-(4-tert-butylphenyl)-2-methyl-2,3-dihydroinden-1-one
SMILES String
CC1Cc2c(cccc2-c2ccc(C(C)(C)C)cc2)C1=O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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-(1,1-Dimethylethyl)phenyl]-2,3-dihydro-2-methyl-1H-inden-1-one is identified by CAS 245653-51-4, with molecular formula C20H22O, molecular weight 278.4, InChIKey BLWBKQXLHRVDNV-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
21
H-bond acceptors
1
H-bond donors
0
Rotatable bonds
1
Ring count
3
Aromatic rings
2
Topological polar surface area
17.07 Ų
Computed LogP
5.03
Fragment-like structure rule
Yes
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-(1,1-Dimethylethyl)phenyl]-2,3-dihydro-2-methyl-1H-inden-1-one (CAS 245653-51-4) is maintained as a commercial cas reference with formula C20H22O, molecular weight 278. 40 g/mol, PubChem CID 22173297.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include fragment-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation 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.