2-(3-hydroxy-4-methoxyphenyl)benzoic acid

C14H12O4 — CID 70462111

IUPAC2-(3-hydroxy-4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2ccccc2C(=O)O)cc1O
InChIInChI=1S/C14H12O4/c1-18-13-7-6-9(8-12(13)15)10-4-2-3-5-11(10)14(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyOTVWBLWXIXXGRE-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.77
Rot. Bonds3

About 2-(3-hydroxy-4-methoxyphenyl)benzoic acid

2-(3-hydroxy-4-methoxyphenyl)benzoic acid (PubChem CID 70462111) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)benzoic acid
PubChem CID70462111
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2ccccc2C(=O)O)cc1O
InChIInChI=1S/C14H12O4/c1-18-13-7-6-9(8-12(13)15)10-4-2-3-5-11(10)14(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyOTVWBLWXIXXGRE-UHFFFAOYSA-N
XLogP2.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
CID 53227259
2-[4-[2-[2-[2-[4-(2-carboxyphenyl)phenyl]ethynyl]-4,5-dimethoxyphenyl]ethynyl]phenyl]benzoic acid
CID 24776888
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287
6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 141058986
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
2-methoxy-5-(4-methylnaphthalen-1-yl)phenol
CID 53405298
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353
(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 59116114

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)benzoic acid?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)benzoic acid (CID 70462111) is 2-(3-hydroxy-4-methoxyphenyl)benzoic acid.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)benzoic acid?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)benzoic acid is COc1ccc(-c2ccccc2C(=O)O)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)benzoic acid?
The InChIKey is OTVWBLWXIXXGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-18-13-7-6-9(8-12(13)15)10-4-2-3-5-11(10)14(16)17/h2-8,15H,1H3,(H,16,17).
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)benzoic acid?
2-(3-hydroxy-4-methoxyphenyl)benzoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)benzoic acid is sourced from PubChem (CID 70462111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).