2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one

C20H18O3 — CID 10957733

IUPAC2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one
SMILESC=Cc1ccccc1C1=C(c2ccccc2)C(OC)(OC)C1=O
InChIInChI=1S/C20H18O3/c1-4-14-10-8-9-13-16(14)17-18(15-11-6-5-7-12-15)20(22-2,23-3)19(17)21/h4-13H,1H2,2-3H3
InChIKeyHELGSABLNOCSRA-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.81
Rot. Bonds5

About 2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one

2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one (PubChem CID 10957733) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one.

Molecular Properties

Compound Name2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one
PubChem CID10957733
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one
SMILESC=Cc1ccccc1C1=C(c2ccccc2)C(OC)(OC)C1=O
InChIInChI=1S/C20H18O3/c1-4-14-10-8-9-13-16(14)17-18(15-11-6-5-7-12-15)20(22-2,23-3)19(17)21/h4-13H,1H2,2-3H3
InChIKeyHELGSABLNOCSRA-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-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

3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione
CID 141489525
2,2-dimethoxy-4,5-diphenylcyclopent-4-ene-1,3-dione
CID 135004291
1,1'-biphenyl;1-ethenyl-2-methoxybenzene
CID 158702776
1-ethenyl-2-(2-methoxyphenyl)benzene
CID 150139111
2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146639140
2-(2-ethenylphenyl)-4-ethyl-5-phenylpyridine
CID 144512518
4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one
CID 13382755
2-ethenyl-6-phenylaniline
CID 162513361
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)but-3-enoate
CID 11096858
1-ethenyl-2-(3-ethoxyphenyl)benzene
CID 151818646
(2-ethenyl-6-phenylphenyl)methyl formate
CID 174757739
3-(2-ethenylphenyl)-N,N-diphenylaniline
CID 91124451

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one?
The IUPAC name of 2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one (CID 10957733) is 2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one.
What is the SMILES notation for 2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one?
The canonical SMILES for 2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one is C=Cc1ccccc1C1=C(c2ccccc2)C(OC)(OC)C1=O.
What is the InChIKey of 2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one?
The InChIKey is HELGSABLNOCSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-4-14-10-8-9-13-16(14)17-18(15-11-6-5-7-12-15)20(22-2,23-3)19(17)21/h4-13H,1H2,2-3H3.
What are the key properties of 2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one?
2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one has a molecular weight of 306.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylphenyl)-4,4-dimethoxy-3-phenylcyclobut-2-en-1-one is sourced from PubChem (CID 10957733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).