4-(4-formylphenyl)-2-methoxybenzoic acid

C15H12O4 — CID 53225183

IUPAC4-(4-formylphenyl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2ccc(C=O)cc2)ccc1C(=O)O
InChIInChI=1S/C15H12O4/c1-19-14-8-12(6-7-13(14)15(17)18)11-4-2-10(9-16)3-5-11/h2-9H,1H3,(H,17,18)
InChIKeyVUCCCFSRKSARBN-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.87
Rot. Bonds4

About 4-(4-formylphenyl)-2-methoxybenzoic acid

4-(4-formylphenyl)-2-methoxybenzoic acid (PubChem CID 53225183) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(4-formylphenyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(4-formylphenyl)-2-methoxybenzoic acid
PubChem CID53225183
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name4-(4-formylphenyl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2ccc(C=O)cc2)ccc1C(=O)O
InChIInChI=1S/C15H12O4/c1-19-14-8-12(6-7-13(14)15(17)18)11-4-2-10(9-16)3-5-11/h2-9H,1H3,(H,17,18)
InChIKeyVUCCCFSRKSARBN-UHFFFAOYSA-N
XLogP2.87
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.87
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

4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid
CID 157275150
4-(3,5-difluorophenyl)-2-methoxybenzoic acid
CID 53225906
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
4-(3-aminophenyl)-2-methoxybenzoic acid
CID 53224921
4-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzoic acid
CID 53228823
4-acetyl-3-methoxybenzaldehyde
CID 14123550
4-(4-chloro-3-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228513
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid
CID 170646989
4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid
CID 169453817
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxybenzoic acid
CID 101130006
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylphenyl)-2-methoxybenzoic acid?
The IUPAC name of 4-(4-formylphenyl)-2-methoxybenzoic acid (CID 53225183) is 4-(4-formylphenyl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(4-formylphenyl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(4-formylphenyl)-2-methoxybenzoic acid is COc1cc(-c2ccc(C=O)cc2)ccc1C(=O)O.
What is the InChIKey of 4-(4-formylphenyl)-2-methoxybenzoic acid?
The InChIKey is VUCCCFSRKSARBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-19-14-8-12(6-7-13(14)15(17)18)11-4-2-10(9-16)3-5-11/h2-9H,1H3,(H,17,18).
What are the key properties of 4-(4-formylphenyl)-2-methoxybenzoic acid?
4-(4-formylphenyl)-2-methoxybenzoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylphenyl)-2-methoxybenzoic acid is sourced from PubChem (CID 53225183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).