4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid

C14H11FO4 — CID 53225716

IUPAC4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1cc(F)ccc1O
InChIInChI=1S/C14H11FO4/c1-19-13-6-8(14(17)18)2-4-10(13)11-7-9(15)3-5-12(11)16/h2-7,16H,1H3,(H,17,18)
InChIKeyZLMWUAJOJNXJRY-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.91
Rot. Bonds3

About 4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid

4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid (PubChem CID 53225716) has the molecular formula C14H11FO4 and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
PubChem CID53225716
Molecular FormulaC14H11FO4
Molecular Weight262.24 g/mol
Exact Mass262.06
IUPAC Name4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1cc(F)ccc1O
InChIInChI=1S/C14H11FO4/c1-19-13-6-8(14(17)18)2-4-10(13)11-7-9(15)3-5-12(11)16/h2-7,16H,1H3,(H,17,18)
InChIKeyZLMWUAJOJNXJRY-UHFFFAOYSA-N
XLogP2.91
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-difluorophenyl)-3-methoxybenzoic acid
CID 53225988
4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
CID 53225605
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid
CID 82039120
4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
CID 53225677
4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid
CID 53225720
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid
CID 167863131
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679
4-(5-fluoro-2-methoxyphenyl)-3-nitrobenzoic acid
CID 82772402
3-hydroxy-4-methoxybenzoic acid
CID 12575
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid?
The IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid (CID 53225716) is 4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid.
What is the SMILES notation for 4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid?
The canonical SMILES for 4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1-c1cc(F)ccc1O.
What is the InChIKey of 4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid?
The InChIKey is ZLMWUAJOJNXJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO4/c1-19-13-6-8(14(17)18)2-4-10(13)11-7-9(15)3-5-12(11)16/h2-7,16H,1H3,(H,17,18).
What are the key properties of 4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid?
4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid has a molecular weight of 262.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid is sourced from PubChem (CID 53225716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).