3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one

C18H22O2 — CID 155676403

IUPAC3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one
SMILESC=CCC1(CC=C)C(=O)CC(c2ccccc2)CC1O
InChIInChI=1S/C18H22O2/c1-3-10-18(11-4-2)16(19)12-15(13-17(18)20)14-8-6-5-7-9-14/h3-9,15-16,19H,1-2,10-13H2
InChIKeyULKJEZMAXXVIRZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.63
Rot. Bonds5

About 3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one

3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one (PubChem CID 155676403) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one
PubChem CID155676403
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one
SMILESC=CCC1(CC=C)C(=O)CC(c2ccccc2)CC1O
InChIInChI=1S/C18H22O2/c1-3-10-18(11-4-2)16(19)12-15(13-17(18)20)14-8-6-5-7-9-14/h3-9,15-16,19H,1-2,10-13H2
InChIKeyULKJEZMAXXVIRZ-UHFFFAOYSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-hydroxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one;5-methyl-2,2-bis(prop-2-enyl)cyclohexane-1,3-dione
CID 157209880
trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one
CID 13216005
(3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one
CID 57342184
3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one
CID 170693866
2,2-diethyl-3-(4-phenylphenyl)cyclobutan-1-one
CID 81416301
(4S)-2-ethenylidene-4-phenylcyclopentan-1-ol
CID 100975405
3-oxo-5-phenylcyclohexane-1-carbaldehyde
CID 22007917
3-phenyl-1-prop-2-enylazetidine
CID 23632
4-phenyl-5-prop-2-enyloxolan-2-one
CID 14448606
cis-(2R,4S)-4-(4-bromophenyl)-2-ethenyl-2-phenylmethoxycyclopentan-1-one
CID 134940869
5-phenylcyclohexane-1,3-diol
CID 14135723
(3R)-3-phenyl-1-prop-2-enylpyrrolidine
CID 1414729

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one?
The IUPAC name of 3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one (CID 155676403) is 3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one.
What is the SMILES notation for 3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one?
The canonical SMILES for 3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one is C=CCC1(CC=C)C(=O)CC(c2ccccc2)CC1O.
What is the InChIKey of 3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one?
The InChIKey is ULKJEZMAXXVIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-10-18(11-4-2)16(19)12-15(13-17(18)20)14-8-6-5-7-9-14/h3-9,15-16,19H,1-2,10-13H2.
What are the key properties of 3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one?
3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one has a molecular weight of 270.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one is sourced from PubChem (CID 155676403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).