(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

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).