2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid

C14H11FO3 — CID 53225648

IUPAC2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid
SMILESCc1ccc(-c2cc(O)cc(F)c2)c(C(=O)O)c1
InChIInChI=1S/C14H11FO3/c1-8-2-3-12(13(4-8)14(17)18)9-5-10(15)7-11(16)6-9/h2-7,16H,1H3,(H,17,18)
InChIKeyWQZCTFIESGJSMR-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.20
Rot. Bonds2

About 2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid

2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid (PubChem CID 53225648) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid
PubChem CID53225648
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid
SMILESCc1ccc(-c2cc(O)cc(F)c2)c(C(=O)O)c1
InChIInChI=1S/C14H11FO3/c1-8-2-3-12(13(4-8)14(17)18)9-5-10(15)7-11(16)6-9/h2-7,16H,1H3,(H,17,18)
InChIKeyWQZCTFIESGJSMR-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

5-chloro-2-(3,5-difluorophenyl)benzoic acid
CID 82107209
5-methyl-2-thiophen-3-ylbenzoic acid
CID 53224821
2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid
CID 53226704
2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid
CID 83068338
5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid
CID 115374996
2-(3,4-diethylphenyl)-5-methylbenzoic acid
CID 115482487
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
2-(2,3-difluorophenyl)-5-methylbenzoic acid
CID 53225918
3-(3-fluoro-5-hydroxyphenyl)-5-methylphenol
CID 53218862
2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid
CID 172650229
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol
CID 53219337

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid?
The IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid (CID 53225648) is 2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid?
The canonical SMILES for 2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid is Cc1ccc(-c2cc(O)cc(F)c2)c(C(=O)O)c1.
What is the InChIKey of 2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid?
The InChIKey is WQZCTFIESGJSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-8-2-3-12(13(4-8)14(17)18)9-5-10(15)7-11(16)6-9/h2-7,16H,1H3,(H,17,18).
What are the key properties of 2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid?
2-(3-fluoro-5-hydroxyphenyl)-5-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 2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid is sourced from PubChem (CID 53225648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).