3-formyl-2-(2-formylphenyl)benzoic acid

C15H10O4 — CID 87124248

IUPAC3-formyl-2-(2-formylphenyl)benzoic acid
SMILESO=Cc1ccccc1-c1c(C=O)cccc1C(=O)O
InChIInChI=1S/C15H10O4/c16-8-10-4-1-2-6-12(10)14-11(9-17)5-3-7-13(14)15(18)19/h1-9H,(H,18,19)
InChIKeyWQKQSGUXJMJURX-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.68
Rot. Bonds4

About 3-formyl-2-(2-formylphenyl)benzoic acid

3-formyl-2-(2-formylphenyl)benzoic acid (PubChem CID 87124248) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-formyl-2-(2-formylphenyl)benzoic acid.

Molecular Properties

Compound Name3-formyl-2-(2-formylphenyl)benzoic acid
PubChem CID87124248
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name3-formyl-2-(2-formylphenyl)benzoic acid
SMILESO=Cc1ccccc1-c1c(C=O)cccc1C(=O)O
InChIInChI=1S/C15H10O4/c16-8-10-4-1-2-6-12(10)14-11(9-17)5-3-7-13(14)15(18)19/h1-9H,(H,18,19)
InChIKeyWQKQSGUXJMJURX-UHFFFAOYSA-N
XLogP2.68
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-formyl-2-phenylbenzoyl)benzoic acid
CID 54165069
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
aluminum tris(2-carboxy-6-formylphenolate)
CID 173060925
2-formylbenzoic acid;methoxymethane
CID 90858085
3-formyl-2-iodobenzoic acid
CID 71422161
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-formyl-6-phenylbenzoic acid
CID 18003803
benzyl 2-(2-formylphenyl)-3-methylbenzoate
CID 170993305
2-(2-formylanilino)benzoic acid
CID 54432432
2-[2-(2-methylpropanoyl)phenyl]benzaldehyde
CID 174491970
ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde
CID 143224039
formic acid;phthalic acid
CID 159829564

Frequently Asked Questions

What is the IUPAC name of 3-formyl-2-(2-formylphenyl)benzoic acid?
The IUPAC name of 3-formyl-2-(2-formylphenyl)benzoic acid (CID 87124248) is 3-formyl-2-(2-formylphenyl)benzoic acid.
What is the SMILES notation for 3-formyl-2-(2-formylphenyl)benzoic acid?
The canonical SMILES for 3-formyl-2-(2-formylphenyl)benzoic acid is O=Cc1ccccc1-c1c(C=O)cccc1C(=O)O.
What is the InChIKey of 3-formyl-2-(2-formylphenyl)benzoic acid?
The InChIKey is WQKQSGUXJMJURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-8-10-4-1-2-6-12(10)14-11(9-17)5-3-7-13(14)15(18)19/h1-9H,(H,18,19).
What are the key properties of 3-formyl-2-(2-formylphenyl)benzoic acid?
3-formyl-2-(2-formylphenyl)benzoic acid has a molecular weight of 254.24 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-2-(2-formylphenyl)benzoic acid is sourced from PubChem (CID 87124248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).