methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate

C15H12F2O3 — CID 24786851

IUPACmethyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate
SMILESCOC(=O)c1c(O)cc(C)c(F)c1-c1ccc(F)cc1
InChIInChI=1S/C15H12F2O3/c1-8-7-11(18)13(15(19)20-2)12(14(8)17)9-3-5-10(16)6-4-9/h3-7,18H,1-2H3
InChIKeyLMNWPNBBMOQQMA-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.43
Rot. Bonds2

About methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate

methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate (PubChem CID 24786851) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate
PubChem CID24786851
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Namemethyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate
SMILESCOC(=O)c1c(O)cc(C)c(F)c1-c1ccc(F)cc1
InChIInChI=1S/C15H12F2O3/c1-8-7-11(18)13(15(19)20-2)12(14(8)17)9-3-5-10(16)6-4-9/h3-7,18H,1-2H3
InChIKeyLMNWPNBBMOQQMA-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate
CID 24786970
dimethyl 3-(4-fluorophenyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
CID 130224514
methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate
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methyl 5-(4-fluorophenyl)sulfanyl-2-hydroxy-3-methyl-6-phenylbenzoate
CID 102041569
methyl 6-hydroxy-3,4-dimethyl-2-methylsulfanylbenzoate
CID 102436913
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
methyl 5-bromo-2-(4-fluorophenyl)-7-methyl-1H-indole-3-carboxylate
CID 172606750
methyl 2,6-difluoro-3-methoxy-5-methylbenzoate
CID 90163848
methyl 3-amino-2,6-difluoro-5-methylbenzoate
CID 84669845
methyl 4-fluoro-2-hydroxy-6-iodobenzoate
CID 131271733
ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate
CID 24786852
methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
CID 161420499

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate?
The IUPAC name of methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate (CID 24786851) is methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate.
What is the SMILES notation for methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate?
The canonical SMILES for methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate is COC(=O)c1c(O)cc(C)c(F)c1-c1ccc(F)cc1.
What is the InChIKey of methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate?
The InChIKey is LMNWPNBBMOQQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-8-7-11(18)13(15(19)20-2)12(14(8)17)9-3-5-10(16)6-4-9/h3-7,18H,1-2H3.
What are the key properties of methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate?
methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate has a molecular weight of 278.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate is sourced from PubChem (CID 24786851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).