(4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one

C16H14O2 — CID 5358629

IUPAC(4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=O)C(O)=C/C1=C\C=Cc1ccccc1
InChIInChI=1S/C16H14O2/c1-12-10-15(17)16(18)11-14(12)9-5-8-13-6-3-2-4-7-13/h2-11,18H,1H3/b8-5?,14-9+
InChIKeyXJPQXWBSQSQSNG-WRPGCLPZSA-N
MW238.29 g/mol
LogP3.60
Rot. Bonds2

About (4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one

(4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one (PubChem CID 5358629) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one
PubChem CID5358629
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=O)C(O)=C/C1=C\C=Cc1ccccc1
InChIInChI=1S/C16H14O2/c1-12-10-15(17)16(18)11-14(12)9-5-8-13-6-3-2-4-7-13/h2-11,18H,1H3/b8-5?,14-9+
InChIKeyXJPQXWBSQSQSNG-WRPGCLPZSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-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

(4E)-4-cinnamylidene-2,5-dimethoxycyclohexa-2,5-dien-1-one
CID 5358628
(E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide
CID 6267512
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
4-cinnamylidene-1H-pyrazol-5-one
CID 88840693
5-cinnamylideneimidazolidine-2,4-dione
CID 965914
2,5-dicinnamylidenecyclopentan-1-one
CID 2806566
(2Z,5E)-2,5-bis[(Z)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 42545090
6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione
CID 72751782
(3S)-6-methyl-3-[(2E,4Z)-5-phenylpenta-2,4-dienoyl]pyran-2,4-dione
CID 98750620
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
phenol;(E)-3-phenylprop-2-enal
CID 159568112

Frequently Asked Questions

What is the IUPAC name of (4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one?
The IUPAC name of (4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one (CID 5358629) is (4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one?
The canonical SMILES for (4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one is CC1=CC(=O)C(O)=C/C1=C\C=Cc1ccccc1.
What is the InChIKey of (4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one?
The InChIKey is XJPQXWBSQSQSNG-WRPGCLPZSA-N. The full InChI is InChI=1S/C16H14O2/c1-12-10-15(17)16(18)11-14(12)9-5-8-13-6-3-2-4-7-13/h2-11,18H,1H3/b8-5?,14-9+.
What are the key properties of (4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one?
(4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one has a molecular weight of 238.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 5358629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).