3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid

C15H14O4 — CID 53226280

IUPAC3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2O)cc1C
InChIInChI=1S/C15H14O4/c1-9-7-10(4-6-14(9)19-2)12-5-3-11(15(17)18)8-13(12)16/h3-8,16H,1-2H3,(H,17,18)
InChIKeyGJCLYGLRLONGTK-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.07
Rot. Bonds3

About 3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid

3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid (PubChem CID 53226280) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid
PubChem CID53226280
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2O)cc1C
InChIInChI=1S/C15H14O4/c1-9-7-10(4-6-14(9)19-2)12-5-3-11(15(17)18)8-13(12)16/h3-8,16H,1-2H3,(H,17,18)
InChIKeyGJCLYGLRLONGTK-UHFFFAOYSA-N
XLogP3.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228622
3-hydroxy-4-methoxybenzoic acid
CID 12575
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385
3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
CID 114103412
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287
4-(4-chloro-3-methoxycarbonylphenyl)-3-hydroxybenzoic acid
CID 53228498
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
3-(3-hydroxyphenyl)-4-methoxybenzoic acid
CID 115045204

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid?
The IUPAC name of 3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid (CID 53226280) is 3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid.
What is the SMILES notation for 3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid?
The canonical SMILES for 3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid is COc1ccc(-c2ccc(C(=O)O)cc2O)cc1C.
What is the InChIKey of 3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid?
The InChIKey is GJCLYGLRLONGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-9-7-10(4-6-14(9)19-2)12-5-3-11(15(17)18)8-13(12)16/h3-8,16H,1-2H3,(H,17,18).
What are the key properties of 3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid?
3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid has a molecular weight of 258.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid is sourced from PubChem (CID 53226280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).