methyl 3-(2-fluoro-5-methylphenyl)benzoate

C15H13FO2 — CID 75488323

IUPACmethyl 3-(2-fluoro-5-methylphenyl)benzoate
SMILESCOC(=O)c1cccc(-c2cc(C)ccc2F)c1
InChIInChI=1S/C15H13FO2/c1-10-6-7-14(16)13(8-10)11-4-3-5-12(9-11)15(17)18-2/h3-9H,1-2H3
InChIKeyZPEAUVKLTCHKHC-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.59
Rot. Bonds2

About methyl 3-(2-fluoro-5-methylphenyl)benzoate

methyl 3-(2-fluoro-5-methylphenyl)benzoate (PubChem CID 75488323) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is methyl 3-(2-fluoro-5-methylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-fluoro-5-methylphenyl)benzoate
PubChem CID75488323
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Namemethyl 3-(2-fluoro-5-methylphenyl)benzoate
SMILESCOC(=O)c1cccc(-c2cc(C)ccc2F)c1
InChIInChI=1S/C15H13FO2/c1-10-6-7-14(16)13(8-10)11-4-3-5-12(9-11)15(17)18-2/h3-9H,1-2H3
InChIKeyZPEAUVKLTCHKHC-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

1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
CID 54912743
methyl 3-(4-fluoro-3-methylphenyl)benzoate
CID 75488193
methyl 3-(2-fluoro-5-methylphenyl)-5-nitrobenzoate
CID 115512386
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
2-(3-methoxycarbonylphenyl)-6-methylbenzoic acid
CID 53227079
ethane;methyl 3-(2-fluoro-4-methylphenyl)-5-methylbenzoate
CID 143667163
methyl 3-(2,5-dimethylphenyl)-5-fluorobenzoate
CID 103186373
methyl 3-fluorobenzoate
CID 521184
dimethyl 5-[3-(4-methylphenyl)phenyl]benzene-1,3-dicarboxylate
CID 15533553
methyl 3-fluoro-4-(3-methoxyphenyl)benzoate
CID 75488340
3-fluoro-5-(2-fluoro-5-methoxycarbonylphenyl)benzoic acid
CID 53227934

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluoro-5-methylphenyl)benzoate?
The IUPAC name of methyl 3-(2-fluoro-5-methylphenyl)benzoate (CID 75488323) is methyl 3-(2-fluoro-5-methylphenyl)benzoate.
What is the SMILES notation for methyl 3-(2-fluoro-5-methylphenyl)benzoate?
The canonical SMILES for methyl 3-(2-fluoro-5-methylphenyl)benzoate is COC(=O)c1cccc(-c2cc(C)ccc2F)c1.
What is the InChIKey of methyl 3-(2-fluoro-5-methylphenyl)benzoate?
The InChIKey is ZPEAUVKLTCHKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-10-6-7-14(16)13(8-10)11-4-3-5-12(9-11)15(17)18-2/h3-9H,1-2H3.
What are the key properties of methyl 3-(2-fluoro-5-methylphenyl)benzoate?
methyl 3-(2-fluoro-5-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 3-(2-fluoro-5-methylphenyl)benzoate is sourced from PubChem (CID 75488323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).