5-methoxy-2-(4-phenylbenzoyl)benzoic acid

C21H16O4 — CID 69209013

IUPAC5-methoxy-2-(4-phenylbenzoyl)benzoic acid
SMILESCOc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)c(C(=O)O)c1
InChIInChI=1S/C21H16O4/c1-25-17-11-12-18(19(13-17)21(23)24)20(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,24)
InChIKeyZHMAPGBAEIOEED-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.29
Rot. Bonds5

About 5-methoxy-2-(4-phenylbenzoyl)benzoic acid

5-methoxy-2-(4-phenylbenzoyl)benzoic acid (PubChem CID 69209013) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-methoxy-2-(4-phenylbenzoyl)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(4-phenylbenzoyl)benzoic acid
PubChem CID69209013
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name5-methoxy-2-(4-phenylbenzoyl)benzoic acid
SMILESCOc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)c(C(=O)O)c1
InChIInChI=1S/C21H16O4/c1-25-17-11-12-18(19(13-17)21(23)24)20(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,24)
InChIKeyZHMAPGBAEIOEED-UHFFFAOYSA-N
XLogP4.29
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid
CID 69214250
(3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone
CID 169324752
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
CID 172864174
CID 172864174
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
CID 175499515
CID 175499515
2-(4-methoxybenzoyl)-4-methylbenzoic acid
CID 69212990
7-methoxy-3-(6-methoxynaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 54292722
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-phenylbenzoyl)benzoic acid?
The IUPAC name of 5-methoxy-2-(4-phenylbenzoyl)benzoic acid (CID 69209013) is 5-methoxy-2-(4-phenylbenzoyl)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(4-phenylbenzoyl)benzoic acid?
The canonical SMILES for 5-methoxy-2-(4-phenylbenzoyl)benzoic acid is COc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-(4-phenylbenzoyl)benzoic acid?
The InChIKey is ZHMAPGBAEIOEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c1-25-17-11-12-18(19(13-17)21(23)24)20(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,24).
What are the key properties of 5-methoxy-2-(4-phenylbenzoyl)benzoic acid?
5-methoxy-2-(4-phenylbenzoyl)benzoic acid has a molecular weight of 332.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-phenylbenzoyl)benzoic acid is sourced from PubChem (CID 69209013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).