4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid

C14H11FO4 — CID 53220977

IUPAC4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2cc(C(=O)O)ccc2F)cc1O
InChIInChI=1S/C14H11FO4/c1-19-13-5-3-8(7-12(13)16)10-6-9(14(17)18)2-4-11(10)15/h2-7,16H,1H3,(H,17,18)
InChIKeyVISIEJCQKDZXSS-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.91
Rot. Bonds3

About 4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid

4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid (PubChem CID 53220977) has the molecular formula C14H11FO4 and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
PubChem CID53220977
Molecular FormulaC14H11FO4
Molecular Weight262.24 g/mol
Exact Mass262.06
IUPAC Name4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2cc(C(=O)O)ccc2F)cc1O
InChIInChI=1S/C14H11FO4/c1-19-13-5-3-8(7-12(13)16)10-6-9(14(17)18)2-4-11(10)15/h2-7,16H,1H3,(H,17,18)
InChIKeyVISIEJCQKDZXSS-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

3-hydroxy-4-methoxybenzoic acid
CID 12575
5-(2-fluoro-5-methylphenyl)-2-methoxyphenol
CID 53220775
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228622
methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate
CID 53221034
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 143190556
4-(2,5-difluorophenyl)-3-methoxybenzoic acid
CID 53225988
3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226280
3-chloro-4-(3-fluoro-4-methoxyphenyl)benzoic acid
CID 81308426
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid (CID 53220977) is 4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid is COc1ccc(-c2cc(C(=O)O)ccc2F)cc1O.
What is the InChIKey of 4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid?
The InChIKey is VISIEJCQKDZXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO4/c1-19-13-5-3-8(7-12(13)16)10-6-9(14(17)18)2-4-11(10)15/h2-7,16H,1H3,(H,17,18).
What are the key properties of 4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid?
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic 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-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid is sourced from PubChem (CID 53220977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).