3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid

C14H11FO3 — CID 176508639

IUPAC3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1-c1cccc(O)c1
InChIInChI=1S/C14H11FO3/c1-8-12(9-3-2-4-11(16)5-9)6-10(14(17)18)7-13(8)15/h2-7,16H,1H3,(H,17,18)
InChIKeyIFEAAVWLVHMQFC-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.20
Rot. Bonds2

About 3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid

3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid (PubChem CID 176508639) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid
PubChem CID176508639
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1-c1cccc(O)c1
InChIInChI=1S/C14H11FO3/c1-8-12(9-3-2-4-11(16)5-9)6-10(14(17)18)7-13(8)15/h2-7,16H,1H3,(H,17,18)
InChIKeyIFEAAVWLVHMQFC-UHFFFAOYSA-N
XLogP3.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid
CID 176508636
3-(3,5-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 176508654
3-(3-hydroxyphenyl)-2-methylbenzoic acid
CID 53224960
4-bromo-3-(3-hydroxyphenyl)benzoic acid
CID 115053012
3-(3-chloro-5-fluorophenyl)-5-fluoro-4-methylbenzoic acid
CID 176508653
3-(3-hydroxyphenyl)-4-methoxybenzoic acid
CID 115045204
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid
CID 176508630
3-fluoro-4-(3-methylsulfonylphenyl)benzoic acid
CID 53228086
5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid
CID 53219708
3-[(2,6-difluorophenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 71941450
3-(2,6-difluorophenyl)phenol
CID 53218544

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid?
The IUPAC name of 3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid (CID 176508639) is 3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid.
What is the SMILES notation for 3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid?
The canonical SMILES for 3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid is Cc1c(F)cc(C(=O)O)cc1-c1cccc(O)c1.
What is the InChIKey of 3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid?
The InChIKey is IFEAAVWLVHMQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-8-12(9-3-2-4-11(16)5-9)6-10(14(17)18)7-13(8)15/h2-7,16H,1H3,(H,17,18).
What are the key properties of 3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid?
3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid has a molecular weight of 246.24 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid is sourced from PubChem (CID 176508639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).