3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one

C18H16O2 — CID 13109896

IUPAC3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one
SMILESO=C1C=C(c2ccc(O)cc2)CC(c2ccccc2)C1
InChIInChI=1S/C18H16O2/c19-17-8-6-14(7-9-17)16-10-15(11-18(20)12-16)13-4-2-1-3-5-13/h1-9,12,15,19H,10-11H2
InChIKeyUYAFFZOOVOVVRR-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.92
Rot. Bonds2

About 3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one

3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one (PubChem CID 13109896) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one
PubChem CID13109896
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one
SMILESO=C1C=C(c2ccc(O)cc2)CC(c2ccccc2)C1
InChIInChI=1S/C18H16O2/c19-17-8-6-14(7-9-17)16-10-15(11-18(20)12-16)13-4-2-1-3-5-13/h1-9,12,15,19H,10-11H2
InChIKeyUYAFFZOOVOVVRR-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methylphenyl)-3-(4-phenylphenyl)cyclohex-2-en-1-one
CID 11198540
3-(2-hydroxy-4,6-dimethoxyphenyl)-5-phenylcyclohex-2-en-1-one
CID 13129301
(5S)-3-(4-bromophenyl)-5-(3-chlorophenyl)cyclohex-2-en-1-one
CID 46242278
N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide
CID 1274909
(5R)-3-(3-chlorophenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 42628199
2-methylidene-5-phenylcyclohexane-1,3-dione
CID 54567672
tert-butyl N-[[(5R)-3-oxo-5-phenylcyclohexen-1-yl]amino]carbamate
CID 878364
methyl 2-[(5S)-3-oxo-5-phenylcyclohexen-1-yl]acetate
CID 129404051
(5R)-3-[6-[[(5S)-3-oxo-5-phenylcyclohexen-1-yl]amino]hexylamino]-5-phenylcyclohex-2-en-1-one
CID 99641197
(5S)-3-[(4-methylpiperazin-1-yl)amino]-5-phenylcyclohex-2-en-1-one
CID 7279343
(5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one
CID 788554
(5R)-3-[(4-methylpiperazin-4-ium-1-yl)amino]-5-phenylcyclohex-2-en-1-one
CID 7279340

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one (CID 13109896) is 3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one is O=C1C=C(c2ccc(O)cc2)CC(c2ccccc2)C1.
What is the InChIKey of 3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one?
The InChIKey is UYAFFZOOVOVVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c19-17-8-6-14(7-9-17)16-10-15(11-18(20)12-16)13-4-2-1-3-5-13/h1-9,12,15,19H,10-11H2.
What are the key properties of 3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one?
3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 13109896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).