methyl 4-(4-chlorophenyl)benzoate

C14H11ClO2 — CID 737630

IUPACmethyl 4-(4-chlorophenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3
InChIKeyUJIUMBFXWGXMOV-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.79
Rot. Bonds2

About methyl 4-(4-chlorophenyl)benzoate

methyl 4-(4-chlorophenyl)benzoate (PubChem CID 737630) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is methyl 4-(4-chlorophenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-chlorophenyl)benzoate
PubChem CID737630
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Namemethyl 4-(4-chlorophenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3
InChIKeyUJIUMBFXWGXMOV-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chlorophenyl)benzoate?
The IUPAC name of methyl 4-(4-chlorophenyl)benzoate (CID 737630) is methyl 4-(4-chlorophenyl)benzoate.
What is the SMILES notation for methyl 4-(4-chlorophenyl)benzoate?
The canonical SMILES for methyl 4-(4-chlorophenyl)benzoate is COC(=O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-(4-chlorophenyl)benzoate?
The InChIKey is UJIUMBFXWGXMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3.
What are the key properties of methyl 4-(4-chlorophenyl)benzoate?
methyl 4-(4-chlorophenyl)benzoate has a molecular weight of 246.69 g/mol, XLogP of 3.79, 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)benzoate is sourced from PubChem (CID 737630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).