3-hydroxy-5-(2-methoxyphenyl)benzoic acid

C14H12O4 — CID 53225397

IUPAC3-hydroxy-5-(2-methoxyphenyl)benzoic acid
SMILESCOc1ccccc1-c1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C14H12O4/c1-18-13-5-3-2-4-12(13)9-6-10(14(16)17)8-11(15)7-9/h2-8,15H,1H3,(H,16,17)
InChIKeyGIHROEKKPMLHEF-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.77
Rot. Bonds3

About 3-hydroxy-5-(2-methoxyphenyl)benzoic acid

3-hydroxy-5-(2-methoxyphenyl)benzoic acid (PubChem CID 53225397) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-hydroxy-5-(2-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-5-(2-methoxyphenyl)benzoic acid
PubChem CID53225397
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name3-hydroxy-5-(2-methoxyphenyl)benzoic acid
SMILESCOc1ccccc1-c1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C14H12O4/c1-18-13-5-3-2-4-12(13)9-6-10(14(16)17)8-11(15)7-9/h2-8,15H,1H3,(H,16,17)
InChIKeyGIHROEKKPMLHEF-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-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
3-(2-methoxyphenyl)benzoic acid
CID 2759547
3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53228592
3-chloro-5-(2-methoxyphenyl)phenol
CID 53221223
4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid
CID 170646989
3-(3-hydroxyphenyl)-4-methoxybenzoic acid
CID 115045204
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid
CID 176508630
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
4-amino-3-(2-methoxyphenyl)benzoic acid
CID 82293590
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
5-(2-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 22507236

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(2-methoxyphenyl)benzoic acid?
The IUPAC name of 3-hydroxy-5-(2-methoxyphenyl)benzoic acid (CID 53225397) is 3-hydroxy-5-(2-methoxyphenyl)benzoic acid.
What is the SMILES notation for 3-hydroxy-5-(2-methoxyphenyl)benzoic acid?
The canonical SMILES for 3-hydroxy-5-(2-methoxyphenyl)benzoic acid is COc1ccccc1-c1cc(O)cc(C(=O)O)c1.
What is the InChIKey of 3-hydroxy-5-(2-methoxyphenyl)benzoic acid?
The InChIKey is GIHROEKKPMLHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-18-13-5-3-2-4-12(13)9-6-10(14(16)17)8-11(15)7-9/h2-8,15H,1H3,(H,16,17).
What are the key properties of 3-hydroxy-5-(2-methoxyphenyl)benzoic acid?
3-hydroxy-5-(2-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 3-hydroxy-5-(2-methoxyphenyl)benzoic acid is sourced from PubChem (CID 53225397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).