methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate

C16H15FO3 — CID 141230077

IUPACmethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(C)c(F)c1OC
InChIInChI=1S/C16H15FO3/c1-10-8-9-12(15(19-2)14(10)17)11-6-4-5-7-13(11)16(18)20-3/h4-9H,1-3H3
InChIKeyWVTRAQKJFISCQT-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.60
Rot. Bonds3

About methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate

methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate (PubChem CID 141230077) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate
PubChem CID141230077
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(C)c(F)c1OC
InChIInChI=1S/C16H15FO3/c1-10-8-9-12(15(19-2)14(10)17)11-6-4-5-7-13(11)16(18)20-3/h4-9H,1-3H3
InChIKeyWVTRAQKJFISCQT-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-fluoro-2-methoxy-4-pentylphenyl)benzoate
CID 141230121
methyl 2-(3-fluoro-4-heptyl-2-methoxyphenyl)benzoate
CID 141230105
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
methyl 2-[3-[2-(fluoroamino)-2-oxoethyl]-4-methylphenyl]benzoate
CID 140831551
methyl 5-fluoro-2-naphthalen-1-ylbenzoate
CID 141376687
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
ethane;methyl 2-methoxybenzoate
CID 178037044
ethane;methane;methyl 2-methylbenzoate
CID 168902289
methyl 2-methylbenzoate;1,1,1-trifluoroethane
CID 156877365

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate?
The IUPAC name of methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate (CID 141230077) is methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate.
What is the SMILES notation for methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate?
The canonical SMILES for methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate is COC(=O)c1ccccc1-c1ccc(C)c(F)c1OC.
What is the InChIKey of methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate?
The InChIKey is WVTRAQKJFISCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10-8-9-12(15(19-2)14(10)17)11-6-4-5-7-13(11)16(18)20-3/h4-9H,1-3H3.
What are the key properties of methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate?
methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate has a molecular weight of 274.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate is sourced from PubChem (CID 141230077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).