2-(2-hydroxy-4-methoxybenzoyl)benzoic acid

C15H12O5 — CID 20885

IUPAC2-(2-hydroxy-4-methoxybenzoyl)benzoic acid
SMILESCOc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
InChIInChI=1S/C15H12O5/c1-20-9-6-7-12(13(16)8-9)14(17)10-4-2-3-5-11(10)15(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyJLZIIHMTTRXXIN-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.33
Rot. Bonds4

About 2-(2-hydroxy-4-methoxybenzoyl)benzoic acid

2-(2-hydroxy-4-methoxybenzoyl)benzoic acid (PubChem CID 20885) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methoxybenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-4-methoxybenzoyl)benzoic acid
PubChem CID20885
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2-(2-hydroxy-4-methoxybenzoyl)benzoic acid
SMILESCOc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
InChIInChI=1S/C15H12O5/c1-20-9-6-7-12(13(16)8-9)14(17)10-4-2-3-5-11(10)15(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyJLZIIHMTTRXXIN-UHFFFAOYSA-N
XLogP2.33
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methoxybenzoyl)benzoic acid?
The IUPAC name of 2-(2-hydroxy-4-methoxybenzoyl)benzoic acid (CID 20885) is 2-(2-hydroxy-4-methoxybenzoyl)benzoic acid.
What is the SMILES notation for 2-(2-hydroxy-4-methoxybenzoyl)benzoic acid?
The canonical SMILES for 2-(2-hydroxy-4-methoxybenzoyl)benzoic acid is COc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1.
What is the InChIKey of 2-(2-hydroxy-4-methoxybenzoyl)benzoic acid?
The InChIKey is JLZIIHMTTRXXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-20-9-6-7-12(13(16)8-9)14(17)10-4-2-3-5-11(10)15(18)19/h2-8,16H,1H3,(H,18,19).
What are the key properties of 2-(2-hydroxy-4-methoxybenzoyl)benzoic acid?
2-(2-hydroxy-4-methoxybenzoyl)benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methoxybenzoyl)benzoic acid is sourced from PubChem (CID 20885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).