3-hydroxy-4,4-diphenylcyclohex-2-en-1-one

C18H16O2 — CID 11780380

IUPAC3-hydroxy-4,4-diphenylcyclohex-2-en-1-one
SMILESO=C1C=C(O)C(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C18H16O2/c19-16-11-12-18(17(20)13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,20H,11-12H2
InChIKeyAUQSKOAWXGTPFP-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.78
Rot. Bonds2

About 3-hydroxy-4,4-diphenylcyclohex-2-en-1-one

3-hydroxy-4,4-diphenylcyclohex-2-en-1-one (PubChem CID 11780380) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-hydroxy-4,4-diphenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-4,4-diphenylcyclohex-2-en-1-one
PubChem CID11780380
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name3-hydroxy-4,4-diphenylcyclohex-2-en-1-one
SMILESO=C1C=C(O)C(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C18H16O2/c19-16-11-12-18(17(20)13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,20H,11-12H2
InChIKeyAUQSKOAWXGTPFP-UHFFFAOYSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4,4-dimethylcyclohex-2-en-1-one
CID 13297859
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
ethane;4-hydroxy-4-phenylcyclohexan-1-one
CID 91155635
(2S)-2-hydroxy-2-phenylcyclopentan-1-one
CID 101445109
(8aR)-5-methyl-8a-phenyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
CID 118257581
4-methoxy-4-phenylcyclohexan-1-one
CID 22492992
(5R)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 69070002
(NZ)-N-(2,2-diphenylcyclohexylidene)hydroxylamine
CID 102069739
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
carbonic acid;1,2,3,4-tetrahydronaphthalene
CID 175229813
2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione
CID 102146832
6,6-diphenyloxan-2-one
CID 14144368

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,4-diphenylcyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-4,4-diphenylcyclohex-2-en-1-one (CID 11780380) is 3-hydroxy-4,4-diphenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-4,4-diphenylcyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-4,4-diphenylcyclohex-2-en-1-one is O=C1C=C(O)C(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 3-hydroxy-4,4-diphenylcyclohex-2-en-1-one?
The InChIKey is AUQSKOAWXGTPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c19-16-11-12-18(17(20)13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,20H,11-12H2.
What are the key properties of 3-hydroxy-4,4-diphenylcyclohex-2-en-1-one?
3-hydroxy-4,4-diphenylcyclohex-2-en-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,4-diphenylcyclohex-2-en-1-one is sourced from PubChem (CID 11780380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).