(3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one

C19H22O2 — CID 11173596

IUPAC(3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one
SMILESCC(C)(Cc1ccccc1)[C@@H](O)CC(=O)c1ccccc1
InChIInChI=1S/C19H22O2/c1-19(2,14-15-9-5-3-6-10-15)18(21)13-17(20)16-11-7-4-8-12-16/h3-12,18,21H,13-14H2,1-2H3/t18-/m0/s1
InChIKeyXIYUXVIGXFATJX-SFHVURJKSA-N
MW282.38 g/mol
LogP3.89
Rot. Bonds6

About (3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one

(3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one (PubChem CID 11173596) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one
PubChem CID11173596
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one
SMILESCC(C)(Cc1ccccc1)[C@@H](O)CC(=O)c1ccccc1
InChIInChI=1S/C19H22O2/c1-19(2,14-15-9-5-3-6-10-15)18(21)13-17(20)16-11-7-4-8-12-16/h3-12,18,21H,13-14H2,1-2H3/t18-/m0/s1
InChIKeyXIYUXVIGXFATJX-SFHVURJKSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-1-phenyl-1-propanone
CID 101121
Dihydroyashabushiketol
CID 10265808
5-Methoxy-1,7-diphenyl-3-heptanone
CID 5319430
1,7-Diphenyl-6(E)-Hepten-3-One-5-Ol
CID 44559751
2-Hydroxy-1-(4-phenylphenyl)ethan-1-one
CID 344659
Hydroxypropiophenone
CID 569605
5-(4''-Acetylbiphenyl-4-yl)-3-hydroxypentanoic acid
CID 11335940
ss-Hydroxymethyl chalcone
CID 137653293
2-(5-Hexyldioxolan-3-yl)-1-phenylethanone
CID 155155993
2-(1-Hydroxyethyl)naphthalene-1,4-dione
CID 11481099
2-(10-Hydroxydecyl)-3-methylnaphthalene-1,4-dione
CID 101627872
(E)-6-hydroxy-1,7-diphenylhept-4-en-3-one
CID 24755150

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one?
The IUPAC name of (3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one (CID 11173596) is (3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one.
What is the SMILES notation for (3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one?
The canonical SMILES for (3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one is CC(C)(Cc1ccccc1)[C@@H](O)CC(=O)c1ccccc1.
What is the InChIKey of (3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one?
The InChIKey is XIYUXVIGXFATJX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22O2/c1-19(2,14-15-9-5-3-6-10-15)18(21)13-17(20)16-11-7-4-8-12-16/h3-12,18,21H,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one?
(3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one has a molecular weight of 282.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-4,4-dimethyl-1,5-diphenylpentan-1-one is sourced from PubChem (CID 11173596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).