methyl 2-chloro-4-(2-fluorophenyl)benzoate

C14H10ClFO2 — CID 75488279

IUPACmethyl 2-chloro-4-(2-fluorophenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccccc2F)cc1Cl
InChIInChI=1S/C14H10ClFO2/c1-18-14(17)11-7-6-9(8-12(11)15)10-4-2-3-5-13(10)16/h2-8H,1H3
InChIKeyGEMNSRXRAOMGNA-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.93
Rot. Bonds2

About methyl 2-chloro-4-(2-fluorophenyl)benzoate

methyl 2-chloro-4-(2-fluorophenyl)benzoate (PubChem CID 75488279) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is methyl 2-chloro-4-(2-fluorophenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-(2-fluorophenyl)benzoate
PubChem CID75488279
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Namemethyl 2-chloro-4-(2-fluorophenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccccc2F)cc1Cl
InChIInChI=1S/C14H10ClFO2/c1-18-14(17)11-7-6-9(8-12(11)15)10-4-2-3-5-13(10)16/h2-8H,1H3
InChIKeyGEMNSRXRAOMGNA-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate
CID 53219725
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149
methyl 4-(3-chloro-4-fluorophenyl)-3-fluorobenzoate
CID 75488399
2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid
CID 53225530
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
3-(3-chloro-4-methoxycarbonylphenyl)-5-fluorobenzoic acid
CID 53228476
methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 68762552
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
CID 134623804
4-(2-fluorophenyl)phthalic acid
CID 71119653

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-(2-fluorophenyl)benzoate?
The IUPAC name of methyl 2-chloro-4-(2-fluorophenyl)benzoate (CID 75488279) is methyl 2-chloro-4-(2-fluorophenyl)benzoate.
What is the SMILES notation for methyl 2-chloro-4-(2-fluorophenyl)benzoate?
The canonical SMILES for methyl 2-chloro-4-(2-fluorophenyl)benzoate is COC(=O)c1ccc(-c2ccccc2F)cc1Cl.
What is the InChIKey of methyl 2-chloro-4-(2-fluorophenyl)benzoate?
The InChIKey is GEMNSRXRAOMGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c1-18-14(17)11-7-6-9(8-12(11)15)10-4-2-3-5-13(10)16/h2-8H,1H3.
What are the key properties of methyl 2-chloro-4-(2-fluorophenyl)benzoate?
methyl 2-chloro-4-(2-fluorophenyl)benzoate has a molecular weight of 264.68 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-(2-fluorophenyl)benzoate is sourced from PubChem (CID 75488279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).