3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid

C14H11FO3 — CID 90271210

IUPAC3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid
SMILESCc1c(C(=O)O)cccc1-c1cccc(O)c1F
InChIInChI=1S/C14H11FO3/c1-8-9(4-2-5-10(8)14(17)18)11-6-3-7-12(16)13(11)15/h2-7,16H,1H3,(H,17,18)
InChIKeyIOFDLLRYAGDCLQ-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.20
Rot. Bonds2

About 3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid

3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid (PubChem CID 90271210) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid
PubChem CID90271210
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid
SMILESCc1c(C(=O)O)cccc1-c1cccc(O)c1F
InChIInChI=1S/C14H11FO3/c1-8-9(4-2-5-10(8)14(17)18)11-6-3-7-12(16)13(11)15/h2-7,16H,1H3,(H,17,18)
InChIKeyIOFDLLRYAGDCLQ-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-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
2-methyl-3-(2,4,5-trifluorophenyl)benzoic acid
CID 115503084
3-[2-fluoro-3-(trifluoromethylsulfonyloxy)phenyl]-2-methylbenzoic acid
CID 90271145
3-(2,4-difluoro-5-methylphenyl)-2-methylbenzoic acid
CID 79731849
3-(3-methoxycarbonyl-2-methylphenyl)-2-methylbenzoic acid
CID 175198121
3-(5-bromo-2-fluorophenyl)-2-methylbenzoic acid
CID 79743232
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
3-(2,3-dichlorophenyl)-2-methylbenzoic acid
CID 53227646
3-[2-(3-carboxy-2-methylphenyl)-4-methylphenyl]-2-methylbenzoic acid
CID 157377441
2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405299
3-(3-hydroxyphenyl)-2-methylbenzoic acid
CID 53224960
3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
CID 53226480

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid?
The IUPAC name of 3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid (CID 90271210) is 3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid.
What is the SMILES notation for 3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid?
The canonical SMILES for 3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid is Cc1c(C(=O)O)cccc1-c1cccc(O)c1F.
What is the InChIKey of 3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid?
The InChIKey is IOFDLLRYAGDCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-8-9(4-2-5-10(8)14(17)18)11-6-3-7-12(16)13(11)15/h2-7,16H,1H3,(H,17,18).
What are the key properties of 3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid?
3-(2-fluoro-3-hydroxyphenyl)-2-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-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid is sourced from PubChem (CID 90271210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).