(6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone

C21H18O — CID 175755025

IUPAC(6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESCC1=CC=CC(C(=O)c2ccccc2)C1=Cc1ccccc1
InChIInChI=1S/C21H18O/c1-16-9-8-14-19(21(22)18-12-6-3-7-13-18)20(16)15-17-10-4-2-5-11-17/h2-15,19H,1H3
InChIKeyUUIBCCTXBZTASU-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.09
Rot. Bonds3

About (6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone

(6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone (PubChem CID 175755025) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is (6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
PubChem CID175755025
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name(6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESCC1=CC=CC(C(=O)c2ccccc2)C1=Cc1ccccc1
InChIInChI=1S/C21H18O/c1-16-9-8-14-19(21(22)18-12-6-3-7-13-18)20(16)15-17-10-4-2-5-11-17/h2-15,19H,1H3
InChIKeyUUIBCCTXBZTASU-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone 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

6-benzoyl-2-nitrocyclohexa-2,4-dien-1-one
CID 87696100
[6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone
CID 154101904
phenyl-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]methanone
CID 131845340
[6-[(4-methylphenyl)methylidene]cyclohexa-2,4-dien-1-yl]-phenylmethanone;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 159515187
N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide
CID 10860727
(1Z,3Z,4Z,6Z)-1,3,4,6-tetrabenzylidene-3a,6a-dihydropentalene-2,5-dione
CID 6271135
cis-(2E,3S,4R)-2-benzylidene-3,4-dimethylcyclobutan-1-one
CID 134860997
1-(6-benzylidenecyclohexa-2,4-dien-1-yl)-3-phenylprop-2-en-1-one;palladium
CID 175249285
(4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone
CID 10512299
diethyl (5S,6R)-5-benzoyl-6-methylcyclohex-3-ene-1,1-dicarboxylate
CID 15498417
(2E,5E)-2,5-dibenzylidenecyclopentan-1-ol
CID 12642987
(1-methyl-2H-pyridin-2-yl)-phenylmethanone
CID 19788053

Frequently Asked Questions

What is the IUPAC name of (6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
The IUPAC name of (6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone (CID 175755025) is (6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone.
What is the SMILES notation for (6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
The canonical SMILES for (6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone is CC1=CC=CC(C(=O)c2ccccc2)C1=Cc1ccccc1.
What is the InChIKey of (6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
The InChIKey is UUIBCCTXBZTASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-16-9-8-14-19(21(22)18-12-6-3-7-13-18)20(16)15-17-10-4-2-5-11-17/h2-15,19H,1H3.
What are the key properties of (6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
(6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone has a molecular weight of 286.37 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone is sourced from PubChem (CID 175755025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).