[3-(3-ethenylphenyl)phenyl]-phenylmethanone

C21H16O — CID 89282549

IUPAC[3-(3-ethenylphenyl)phenyl]-phenylmethanone
SMILESC=Cc1cccc(-c2cccc(C(=O)c3ccccc3)c2)c1
InChIInChI=1S/C21H16O/c1-2-16-8-6-11-18(14-16)19-12-7-13-20(15-19)21(22)17-9-4-3-5-10-17/h2-15H,1H2
InChIKeyRCHRIRKGVFGMPQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.23
Rot. Bonds4

About [3-(3-ethenylphenyl)phenyl]-phenylmethanone

[3-(3-ethenylphenyl)phenyl]-phenylmethanone (PubChem CID 89282549) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is [3-(3-ethenylphenyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(3-ethenylphenyl)phenyl]-phenylmethanone
PubChem CID89282549
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name[3-(3-ethenylphenyl)phenyl]-phenylmethanone
SMILESC=Cc1cccc(-c2cccc(C(=O)c3ccccc3)c2)c1
InChIInChI=1S/C21H16O/c1-2-16-8-6-11-18(14-16)19-12-7-13-20(15-19)21(22)17-9-4-3-5-10-17/h2-15H,1H2
InChIKeyRCHRIRKGVFGMPQ-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(3-ethenylphenyl)phenyl]-phenylmethanone?
The IUPAC name of [3-(3-ethenylphenyl)phenyl]-phenylmethanone (CID 89282549) is [3-(3-ethenylphenyl)phenyl]-phenylmethanone.
What is the SMILES notation for [3-(3-ethenylphenyl)phenyl]-phenylmethanone?
The canonical SMILES for [3-(3-ethenylphenyl)phenyl]-phenylmethanone is C=Cc1cccc(-c2cccc(C(=O)c3ccccc3)c2)c1.
What is the InChIKey of [3-(3-ethenylphenyl)phenyl]-phenylmethanone?
The InChIKey is RCHRIRKGVFGMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-2-16-8-6-11-18(14-16)19-12-7-13-20(15-19)21(22)17-9-4-3-5-10-17/h2-15H,1H2.
What are the key properties of [3-(3-ethenylphenyl)phenyl]-phenylmethanone?
[3-(3-ethenylphenyl)phenyl]-phenylmethanone has a molecular weight of 284.36 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethenylphenyl)phenyl]-phenylmethanone is sourced from PubChem (CID 89282549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).