3-(3-hydroxyphenyl)-4-methoxybenzoic acid

C14H12O4 — CID 115045204

IUPAC3-(3-hydroxyphenyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1cccc(O)c1
InChIInChI=1S/C14H12O4/c1-18-13-6-5-10(14(16)17)8-12(13)9-3-2-4-11(15)7-9/h2-8,15H,1H3,(H,16,17)
InChIKeyXAMWJUBVOPZSQV-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.77
Rot. Bonds3

About 3-(3-hydroxyphenyl)-4-methoxybenzoic acid

3-(3-hydroxyphenyl)-4-methoxybenzoic acid (PubChem CID 115045204) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-4-methoxybenzoic acid
PubChem CID115045204
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name3-(3-hydroxyphenyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1cccc(O)c1
InChIInChI=1S/C14H12O4/c1-18-13-6-5-10(14(16)17)8-12(13)9-3-2-4-11(15)7-9/h2-8,15H,1H3,(H,16,17)
InChIKeyXAMWJUBVOPZSQV-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-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
3-(3-bromophenyl)-4-methoxybenzoic acid
CID 115503797
3-[3-[(dimethylamino)methyl]phenyl]-4-methoxybenzoic acid
CID 82039455
3-(2-methoxy-5-methylphenyl)phenol
CID 39243395
3-(2-methoxyphenyl)benzoic acid
CID 2759547
4-bromo-3-(3-hydroxyphenyl)benzoic acid
CID 115053012
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
3-(furan-3-yl)-4-methoxybenzoic acid
CID 63948323
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
3-(1,3-benzodioxol-5-yl)-4-methoxybenzoic acid
CID 82039175
3-hydroxy-4-methoxybenzoic acid
CID 12575

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-4-methoxybenzoic acid (CID 115045204) is 3-(3-hydroxyphenyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1-c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-4-methoxybenzoic acid?
The InChIKey is XAMWJUBVOPZSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-18-13-6-5-10(14(16)17)8-12(13)9-3-2-4-11(15)7-9/h2-8,15H,1H3,(H,16,17).
What are the key properties of 3-(3-hydroxyphenyl)-4-methoxybenzoic acid?
3-(3-hydroxyphenyl)-4-methoxybenzoic 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-(3-hydroxyphenyl)-4-methoxybenzoic acid is sourced from PubChem (CID 115045204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).