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

C15H10ClFO3 — CID 175059139

IUPACmethyl 4-(2-chloro-4-fluorobenzoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H10ClFO3/c1-20-15(19)10-4-2-9(3-5-10)14(18)12-7-6-11(17)8-13(12)16/h2-8H,1H3
InChIKeyITJRSFYXOKGKMC-UHFFFAOYSA-N
MW292.69 g/mol
LogP3.50
Rot. Bonds3

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

methyl 4-(2-chloro-4-fluorobenzoyl)benzoate (PubChem CID 175059139) has the molecular formula C15H10ClFO3 and a molecular weight of 292.69 g/mol. Its IUPAC name is methyl 4-(2-chloro-4-fluorobenzoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-chloro-4-fluorobenzoyl)benzoate
PubChem CID175059139
Molecular FormulaC15H10ClFO3
Molecular Weight292.69 g/mol
Exact Mass292.03
IUPAC Namemethyl 4-(2-chloro-4-fluorobenzoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H10ClFO3/c1-20-15(19)10-4-2-9(3-5-10)14(18)12-7-6-11(17)8-13(12)16/h2-8H,1H3
InChIKeyITJRSFYXOKGKMC-UHFFFAOYSA-N
XLogP3.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130
CID 170307924
CID 170307924
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
4-O-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506531
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
methyl 4-carbamoyl-3-chlorobenzoate
CID 171338558
methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate
CID 69225944

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloro-4-fluorobenzoyl)benzoate?
The IUPAC name of methyl 4-(2-chloro-4-fluorobenzoyl)benzoate (CID 175059139) is methyl 4-(2-chloro-4-fluorobenzoyl)benzoate.
What is the SMILES notation for methyl 4-(2-chloro-4-fluorobenzoyl)benzoate?
The canonical SMILES for methyl 4-(2-chloro-4-fluorobenzoyl)benzoate is COC(=O)c1ccc(C(=O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of methyl 4-(2-chloro-4-fluorobenzoyl)benzoate?
The InChIKey is ITJRSFYXOKGKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO3/c1-20-15(19)10-4-2-9(3-5-10)14(18)12-7-6-11(17)8-13(12)16/h2-8H,1H3.
What are the key properties of methyl 4-(2-chloro-4-fluorobenzoyl)benzoate?
methyl 4-(2-chloro-4-fluorobenzoyl)benzoate has a molecular weight of 292.69 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chloro-4-fluorobenzoyl)benzoate is sourced from PubChem (CID 175059139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).