(4-chlorophenyl) 3-chlorobenzoate

C13H8Cl2O2 — CID 23011218

IUPAC(4-chlorophenyl) 3-chlorobenzoate
SMILESO=C(Oc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C13H8Cl2O2/c14-10-4-6-12(7-5-10)17-13(16)9-2-1-3-11(15)8-9/h1-8H
InChIKeyFORQJPGZFJPPMV-UHFFFAOYSA-N
MW267.11 g/mol
LogP4.21
Rot. Bonds2

About (4-chlorophenyl) 3-chlorobenzoate

(4-chlorophenyl) 3-chlorobenzoate (PubChem CID 23011218) has the molecular formula C13H8Cl2O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is (4-chlorophenyl) 3-chlorobenzoate.

Molecular Properties

Compound Name(4-chlorophenyl) 3-chlorobenzoate
PubChem CID23011218
Molecular FormulaC13H8Cl2O2
Molecular Weight267.11 g/mol
Exact Mass265.99
IUPAC Name(4-chlorophenyl) 3-chlorobenzoate
SMILESO=C(Oc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C13H8Cl2O2/c14-10-4-6-12(7-5-10)17-13(16)9-2-1-3-11(15)8-9/h1-8H
InChIKeyFORQJPGZFJPPMV-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
(4-phenylphenyl) 3-chlorobenzoate
CID 7313882
(4-ethylphenyl) 3-chlorobenzoate
CID 7314075
(4-chlorophenyl) 3-acetamidobenzoate
CID 47098149
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
chloro 3-chlorobenzenecarboperoxoate
CID 87849518
[4-(2-phenoxyethoxycarbonyl)phenyl] 3-chlorobenzoate
CID 17151501
propan-2-yl 3-(3-chlorobenzoyl)oxybenzoate
CID 17162400
methyl 3-chlorobenzenecarboperoxoate
CID 118256511
(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221
dibenzofuran-2-yl 3-chlorobenzoate
CID 3985789

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 3-chlorobenzoate?
The IUPAC name of (4-chlorophenyl) 3-chlorobenzoate (CID 23011218) is (4-chlorophenyl) 3-chlorobenzoate.
What is the SMILES notation for (4-chlorophenyl) 3-chlorobenzoate?
The canonical SMILES for (4-chlorophenyl) 3-chlorobenzoate is O=C(Oc1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of (4-chlorophenyl) 3-chlorobenzoate?
The InChIKey is FORQJPGZFJPPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O2/c14-10-4-6-12(7-5-10)17-13(16)9-2-1-3-11(15)8-9/h1-8H.
What are the key properties of (4-chlorophenyl) 3-chlorobenzoate?
(4-chlorophenyl) 3-chlorobenzoate has a molecular weight of 267.11 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 3-chlorobenzoate is sourced from PubChem (CID 23011218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).