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

C15H13FO2 — CID 15129923

IUPACmethyl 2-(3-fluoro-4-methylphenyl)benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(C)c(F)c1
InChIInChI=1S/C15H13FO2/c1-10-7-8-11(9-14(10)16)12-5-3-4-6-13(12)15(17)18-2/h3-9H,1-2H3
InChIKeyXUKHPWSCKBEWEO-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.59
Rot. Bonds2

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

methyl 2-(3-fluoro-4-methylphenyl)benzoate (PubChem CID 15129923) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is methyl 2-(3-fluoro-4-methylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-4-methylphenyl)benzoate
PubChem CID15129923
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Namemethyl 2-(3-fluoro-4-methylphenyl)benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(C)c(F)c1
InChIInChI=1S/C15H13FO2/c1-10-7-8-11(9-14(10)16)12-5-3-4-6-13(12)15(17)18-2/h3-9H,1-2H3
InChIKeyXUKHPWSCKBEWEO-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[3-[2-(fluoroamino)-2-oxoethyl]-4-methylphenyl]benzoate
CID 140831551
methyl 2-triphenylen-2-ylbenzoate
CID 142724319
methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate
CID 59585041
methyl 2-(3-fluoro-2-methoxy-4-methylphenyl)benzoate
CID 141230077
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate
CID 134537275
2-O-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505392
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273
methyl 2-bromo-5-(2-methylphenyl)benzoate
CID 170794913
methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-4-methylphenyl)benzoate?
The IUPAC name of methyl 2-(3-fluoro-4-methylphenyl)benzoate (CID 15129923) is methyl 2-(3-fluoro-4-methylphenyl)benzoate.
What is the SMILES notation for methyl 2-(3-fluoro-4-methylphenyl)benzoate?
The canonical SMILES for methyl 2-(3-fluoro-4-methylphenyl)benzoate is COC(=O)c1ccccc1-c1ccc(C)c(F)c1.
What is the InChIKey of methyl 2-(3-fluoro-4-methylphenyl)benzoate?
The InChIKey is XUKHPWSCKBEWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-10-7-8-11(9-14(10)16)12-5-3-4-6-13(12)15(17)18-2/h3-9H,1-2H3.
What are the key properties of methyl 2-(3-fluoro-4-methylphenyl)benzoate?
methyl 2-(3-fluoro-4-methylphenyl)benzoate has a molecular weight of 244.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-4-methylphenyl)benzoate is sourced from PubChem (CID 15129923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).