3-(4-hydroxyphenyl)-2-methoxybenzoic acid

C14H12O4 — CID 53224993

IUPAC3-(4-hydroxyphenyl)-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)cccc1-c1ccc(O)cc1
InChIInChI=1S/C14H12O4/c1-18-13-11(3-2-4-12(13)14(16)17)9-5-7-10(15)8-6-9/h2-8,15H,1H3,(H,16,17)
InChIKeySRVAPPCBBHKIFY-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.77
Rot. Bonds3

About 3-(4-hydroxyphenyl)-2-methoxybenzoic acid

3-(4-hydroxyphenyl)-2-methoxybenzoic acid (PubChem CID 53224993) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-methoxybenzoic acid
PubChem CID53224993
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name3-(4-hydroxyphenyl)-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)cccc1-c1ccc(O)cc1
InChIInChI=1S/C14H12O4/c1-18-13-11(3-2-4-12(13)14(16)17)9-5-7-10(15)8-6-9/h2-8,15H,1H3,(H,16,17)
InChIKeySRVAPPCBBHKIFY-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

2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid
CID 53227127
3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
CID 53227259
3-(4-ethoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53227875
3-[3-(hydroxymethyl)phenyl]-2-methoxybenzoic acid
CID 53225350
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287
3-(4-hydroxyphenyl)phthalic acid
CID 45486596
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
2-methoxy-3-(3-methoxycarbonylphenyl)benzoic acid
CID 53227096
2,3-dimethoxy-4-phenylbenzoic acid
CID 22633208
3-(4-hydroxyphenyl)-2-sulfanylbenzoic acid
CID 142716231
2-methoxy-3-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228634
3-[6-(3-carboxy-2-methoxyphenyl)dibenzofuran-4-yl]-2-methoxybenzoic acid
CID 154983457

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-methoxybenzoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-methoxybenzoic acid (CID 53224993) is 3-(4-hydroxyphenyl)-2-methoxybenzoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-methoxybenzoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-methoxybenzoic acid is COc1c(C(=O)O)cccc1-c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-methoxybenzoic acid?
The InChIKey is SRVAPPCBBHKIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-18-13-11(3-2-4-12(13)14(16)17)9-5-7-10(15)8-6-9/h2-8,15H,1H3,(H,16,17).
What are the key properties of 3-(4-hydroxyphenyl)-2-methoxybenzoic acid?
3-(4-hydroxyphenyl)-2-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-(4-hydroxyphenyl)-2-methoxybenzoic acid is sourced from PubChem (CID 53224993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).