[4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone

C29H24O3 — CID 56850780

IUPAC[4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone
SMILESC=Cc1ccc(-c2ccccc2C(=O)c2ccc(-c3c(OC)cccc3OC)cc2)cc1
InChIInChI=1S/C29H24O3/c1-4-20-12-14-21(15-13-20)24-8-5-6-9-25(24)29(30)23-18-16-22(17-19-23)28-26(31-2)10-7-11-27(28)32-3/h4-19H,1H2,2-3H3
InChIKeyXEMJFLWSVILQIT-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.91
Rot. Bonds7

About [4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone

[4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone (PubChem CID 56850780) has the molecular formula C29H24O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is [4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone
PubChem CID56850780
Molecular FormulaC29H24O3
Molecular Weight420.51 g/mol
Exact Mass420.17
IUPAC Name[4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone
SMILESC=Cc1ccc(-c2ccccc2C(=O)c2ccc(-c3c(OC)cccc3OC)cc2)cc1
InChIInChI=1S/C29H24O3/c1-4-20-12-14-21(15-13-20)24-8-5-6-9-25(24)29(30)23-18-16-22(17-19-23)28-26(31-2)10-7-11-27(28)32-3/h4-19H,1H2,2-3H3
InChIKeyXEMJFLWSVILQIT-UHFFFAOYSA-N
XLogP6.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethenylbenzoyl)-2-methoxybenzamide
CID 139609261
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
1,2,3-tris(4-ethenylphenyl)benzene
CID 154053101
(4-bromophenyl)-[2-(4-bromophenyl)phenyl]methanone
CID 141419819
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
(2-ethenylphenyl)-(4-methoxyphenyl)methanone
CID 134346906
[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
CID 154019632
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone?
The IUPAC name of [4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone (CID 56850780) is [4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone.
What is the SMILES notation for [4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone?
The canonical SMILES for [4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone is C=Cc1ccc(-c2ccccc2C(=O)c2ccc(-c3c(OC)cccc3OC)cc2)cc1.
What is the InChIKey of [4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone?
The InChIKey is XEMJFLWSVILQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O3/c1-4-20-12-14-21(15-13-20)24-8-5-6-9-25(24)29(30)23-18-16-22(17-19-23)28-26(31-2)10-7-11-27(28)32-3/h4-19H,1H2,2-3H3.
What are the key properties of [4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone?
[4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone has a molecular weight of 420.51 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethoxyphenyl)phenyl]-[2-(4-ethenylphenyl)phenyl]methanone is sourced from PubChem (CID 56850780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).