(4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one

C14H14O2 — CID 101236564

IUPAC(4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one
SMILESCC1=C(O)/C(=C/c2ccccc2)CCC1=O
InChIInChI=1S/C14H14O2/c1-10-13(15)8-7-12(14(10)16)9-11-5-3-2-4-6-11/h2-6,9,16H,7-8H2,1H3/b12-9+
InChIKeyACDJRYZWEWONKM-FMIVXFBMSA-N
MW214.26 g/mol
LogP3.26
Rot. Bonds1

About (4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one

(4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one (PubChem CID 101236564) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one
PubChem CID101236564
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one
SMILESCC1=C(O)/C(=C/c2ccccc2)CCC1=O
InChIInChI=1S/C14H14O2/c1-10-13(15)8-7-12(14(10)16)9-11-5-3-2-4-6-11/h2-6,9,16H,7-8H2,1H3/b12-9+
InChIKeyACDJRYZWEWONKM-FMIVXFBMSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylidenecyclobutan-1-one
CID 73042587
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
(4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one
CID 177476257
(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one
CID 2313575
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
(2E,8E)-2,8-dibenzylidenecyclooctan-1-one
CID 6439695
(3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one
CID 92525029
2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one
CID 162162773
(3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione
CID 15315265
(2E)-2-benzylidene-5-[(3,5-dimethoxyphenyl)methylidene]cyclopentan-1-one
CID 154112357
(2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one
CID 68642899
(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
CID 6374106

Frequently Asked Questions

What is the IUPAC name of (4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one?
The IUPAC name of (4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one (CID 101236564) is (4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one?
The canonical SMILES for (4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one is CC1=C(O)/C(=C/c2ccccc2)CCC1=O.
What is the InChIKey of (4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one?
The InChIKey is ACDJRYZWEWONKM-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H14O2/c1-10-13(15)8-7-12(14(10)16)9-11-5-3-2-4-6-11/h2-6,9,16H,7-8H2,1H3/b12-9+.
What are the key properties of (4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one?
(4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one has a molecular weight of 214.26 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 101236564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).