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

C14H11FO4 — CID 53225720

IUPAC4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2cc(F)ccc2O)ccc1C(=O)O
InChIInChI=1S/C14H11FO4/c1-19-13-6-8(2-4-10(13)14(17)18)11-7-9(15)3-5-12(11)16/h2-7,16H,1H3,(H,17,18)
InChIKeyGHEPPDKACZDOIF-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.91
Rot. Bonds3

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

4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid (PubChem CID 53225720) has the molecular formula C14H11FO4 and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid
PubChem CID53225720
Molecular FormulaC14H11FO4
Molecular Weight262.24 g/mol
Exact Mass262.06
IUPAC Name4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2cc(F)ccc2O)ccc1C(=O)O
InChIInChI=1S/C14H11FO4/c1-19-13-6-8(2-4-10(13)14(17)18)11-7-9(15)3-5-12(11)16/h2-7,16H,1H3,(H,17,18)
InChIKeyGHEPPDKACZDOIF-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

2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225722
4-(3,5-difluorophenyl)-2-methoxybenzoic acid
CID 53225906
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
CID 53225716
4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid
CID 57398512
2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenol
CID 53219462
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227277
4-(3-fluoro-5-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228002
4-fluoro-2-methoxybenzoic acid;4-fluoro-2-methoxy-6-methylsulfanylbenzoic acid
CID 159885282
4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid
CID 170646989

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid?
The IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid (CID 53225720) is 4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid is COc1cc(-c2cc(F)ccc2O)ccc1C(=O)O.
What is the InChIKey of 4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid?
The InChIKey is GHEPPDKACZDOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO4/c1-19-13-6-8(2-4-10(13)14(17)18)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)-2-methoxybenzoic acid?
4-(5-fluoro-2-hydroxyphenyl)-2-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)-2-methoxybenzoic acid is sourced from PubChem (CID 53225720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).