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

C14H11FO4 — CID 53225661

IUPAC3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2cc(O)cc(F)c2)c1
InChIInChI=1S/C14H11FO4/c1-19-13-5-8(2-10(6-13)14(17)18)9-3-11(15)7-12(16)4-9/h2-7,16H,1H3,(H,17,18)
InChIKeySZXFHQPQNJBAAB-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.91
Rot. Bonds3

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

3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid (PubChem CID 53225661) has the molecular formula C14H11FO4 and a molecular weight of 262.24 g/mol. Its IUPAC name is 3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid
PubChem CID53225661
Molecular FormulaC14H11FO4
Molecular Weight262.24 g/mol
Exact Mass262.06
IUPAC Name3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2cc(O)cc(F)c2)c1
InChIInChI=1S/C14H11FO4/c1-19-13-5-8(2-10(6-13)14(17)18)9-3-11(15)7-12(16)4-9/h2-7,16H,1H3,(H,17,18)
InChIKeySZXFHQPQNJBAAB-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-(3-fluoro-5-methoxyphenyl)benzoic acid
CID 68930625
3-(2,6-difluorophenyl)-5-methoxybenzoic acid
CID 53225965
3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226516
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184
3-(3-aminophenyl)-5-methoxybenzoic acid
CID 53224920
3-(3-fluorophenyl)-5-methoxybenzoyl iodide
CID 89467098
3-[4-(dimethylsulfamoyl)phenyl]-5-methoxybenzoic acid
CID 53228822
4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid
CID 170646989
4-deuterio-3,5-dimethoxybenzoic acid
CID 11159692
3-(2,4-dichlorophenyl)-5-methoxybenzoic acid
CID 53227681
3-fluoro-5-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228260
3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
CID 53227846

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid?
The IUPAC name of 3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid (CID 53225661) is 3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid.
What is the SMILES notation for 3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid?
The canonical SMILES for 3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid is COc1cc(C(=O)O)cc(-c2cc(O)cc(F)c2)c1.
What is the InChIKey of 3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid?
The InChIKey is SZXFHQPQNJBAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO4/c1-19-13-5-8(2-10(6-13)14(17)18)9-3-11(15)7-12(16)4-9/h2-7,16H,1H3,(H,17,18).
What are the key properties of 3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid?
3-(3-fluoro-5-hydroxyphenyl)-5-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 3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid is sourced from PubChem (CID 53225661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).