methyl 4-(4-chlorophenyl)-3-methylbenzoate

C15H13ClO2 — CID 58610225

IUPACmethyl 4-(4-chlorophenyl)-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C15H13ClO2/c1-10-9-12(15(17)18-2)5-8-14(10)11-3-6-13(16)7-4-11/h3-9H,1-2H3
InChIKeyKFEQRLJBEMQBGS-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.10
Rot. Bonds2

About methyl 4-(4-chlorophenyl)-3-methylbenzoate

methyl 4-(4-chlorophenyl)-3-methylbenzoate (PubChem CID 58610225) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is methyl 4-(4-chlorophenyl)-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(4-chlorophenyl)-3-methylbenzoate
PubChem CID58610225
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Namemethyl 4-(4-chlorophenyl)-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C15H13ClO2/c1-10-9-12(15(17)18-2)5-8-14(10)11-3-6-13(16)7-4-11/h3-9H,1-2H3
InChIKeyKFEQRLJBEMQBGS-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 4-(3-hydroxyphenyl)-3-methylbenzoate
CID 169272062
methyl 3,4-bis(4-hydroxyphenyl)benzoate
CID 22669999
methyl 4-(3-chloro-4-fluorophenyl)-3-fluorobenzoate
CID 75488399
methyl 3-methyl-4-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]benzoate;hydrochloride
CID 154903879
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid
CID 53218456
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 3-(4-chlorobenzoyl)benzoate
CID 15984758
methyl 3-formyl-4-(4-methylphenyl)benzoate
CID 156580319
methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate
CID 22606889
ethane;methyl 4-(5-amino-2-methylphenyl)benzoate
CID 142234774

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chlorophenyl)-3-methylbenzoate?
The IUPAC name of methyl 4-(4-chlorophenyl)-3-methylbenzoate (CID 58610225) is methyl 4-(4-chlorophenyl)-3-methylbenzoate.
What is the SMILES notation for methyl 4-(4-chlorophenyl)-3-methylbenzoate?
The canonical SMILES for methyl 4-(4-chlorophenyl)-3-methylbenzoate is COC(=O)c1ccc(-c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of methyl 4-(4-chlorophenyl)-3-methylbenzoate?
The InChIKey is KFEQRLJBEMQBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-10-9-12(15(17)18-2)5-8-14(10)11-3-6-13(16)7-4-11/h3-9H,1-2H3.
What are the key properties of methyl 4-(4-chlorophenyl)-3-methylbenzoate?
methyl 4-(4-chlorophenyl)-3-methylbenzoate has a molecular weight of 260.72 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chlorophenyl)-3-methylbenzoate is sourced from PubChem (CID 58610225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).