[2-(2-benzofuran-1-yl)phenyl]-phenylmethanone

C21H14O2 — CID 174374414

IUPAC[2-(2-benzofuran-1-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1-c1occ2ccccc12
InChIInChI=1S/C21H14O2/c22-20(15-8-2-1-3-9-15)18-12-6-7-13-19(18)21-17-11-5-4-10-16(17)14-23-21/h1-14H
InChIKeyVNLGEJIZNDSSSA-UHFFFAOYSA-N
MW298.34 g/mol
LogP5.33
Rot. Bonds3

About [2-(2-benzofuran-1-yl)phenyl]-phenylmethanone

[2-(2-benzofuran-1-yl)phenyl]-phenylmethanone (PubChem CID 174374414) has the molecular formula C21H14O2 and a molecular weight of 298.34 g/mol. Its IUPAC name is [2-(2-benzofuran-1-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-benzofuran-1-yl)phenyl]-phenylmethanone
PubChem CID174374414
Molecular FormulaC21H14O2
Molecular Weight298.34 g/mol
Exact Mass298.10
IUPAC Name[2-(2-benzofuran-1-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1-c1occ2ccccc12
InChIInChI=1S/C21H14O2/c22-20(15-8-2-1-3-9-15)18-12-6-7-13-19(18)21-17-11-5-4-10-16(17)14-23-21/h1-14H
InChIKeyVNLGEJIZNDSSSA-UHFFFAOYSA-N
XLogP5.33
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.34
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
[2-(3-aminonaphthalen-2-yl)phenyl]-phenylmethanone
CID 174765161
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659
1-(2-benzoylphenyl)xanthen-9-one
CID 67637668
(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone
CID 67114355
(6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone
CID 13010524
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
2-benzoyl-6-phenylbenzoic acid
CID 174388121
[2-(2-ethenylphenyl)phenyl]-phenylmethanone
CID 71373352
9H-carbazole;[2-(9H-carbazol-1-yl)phenyl]-phenylmethanone
CID 175398027
1,2-dimethylhydrazine;diphenylmethanone;phenanthrene
CID 160628551

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzofuran-1-yl)phenyl]-phenylmethanone?
The IUPAC name of [2-(2-benzofuran-1-yl)phenyl]-phenylmethanone (CID 174374414) is [2-(2-benzofuran-1-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(2-benzofuran-1-yl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(2-benzofuran-1-yl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1-c1occ2ccccc12.
What is the InChIKey of [2-(2-benzofuran-1-yl)phenyl]-phenylmethanone?
The InChIKey is VNLGEJIZNDSSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O2/c22-20(15-8-2-1-3-9-15)18-12-6-7-13-19(18)21-17-11-5-4-10-16(17)14-23-21/h1-14H.
What are the key properties of [2-(2-benzofuran-1-yl)phenyl]-phenylmethanone?
[2-(2-benzofuran-1-yl)phenyl]-phenylmethanone has a molecular weight of 298.34 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzofuran-1-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 174374414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).