methyl 2-(2-chlorophenyl)benzoate

C14H11ClO2 — CID 1393589

IUPACmethyl 2-(2-chlorophenyl)benzoate
SMILESCOC(=O)c1ccccc1-c1ccccc1Cl
InChIInChI=1S/C14H11ClO2/c1-17-14(16)12-8-3-2-6-10(12)11-7-4-5-9-13(11)15/h2-9H,1H3
InChIKeyCLFULIDJNYHLFV-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.79
Rot. Bonds2

About methyl 2-(2-chlorophenyl)benzoate

methyl 2-(2-chlorophenyl)benzoate (PubChem CID 1393589) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)benzoate
PubChem CID1393589
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Namemethyl 2-(2-chlorophenyl)benzoate
SMILESCOC(=O)c1ccccc1-c1ccccc1Cl
InChIInChI=1S/C14H11ClO2/c1-17-14(16)12-8-3-2-6-10(12)11-7-4-5-9-13(11)15/h2-9H,1H3
InChIKeyCLFULIDJNYHLFV-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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Related Compounds

dimethyl 4-(2-chlorophenyl)-6-methylbenzene-1,3-dicarboxylate
CID 174705944
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
2-(2-chlorophenyl)-N,N-dimethylbenzamide
CID 175929167
methyl 2-(6-chloropyrazin-2-yl)benzoate
CID 162718783
methyl 2-[(2-chlorophenyl)methylsulfinylmethyl]benzoate
CID 103289225
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate
CID 135067934
methyl 3-acetylazulene-1-carboxylate
CID 11241652
methyl 2-chloro-4-deuteriobenzoate
CID 175401511
methyl 2-(3-bromo-5-chlorophenyl)benzoate
CID 142754386
methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate
CID 11637956

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)benzoate?
The IUPAC name of methyl 2-(2-chlorophenyl)benzoate (CID 1393589) is methyl 2-(2-chlorophenyl)benzoate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)benzoate?
The canonical SMILES for methyl 2-(2-chlorophenyl)benzoate is COC(=O)c1ccccc1-c1ccccc1Cl.
What is the InChIKey of methyl 2-(2-chlorophenyl)benzoate?
The InChIKey is CLFULIDJNYHLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c1-17-14(16)12-8-3-2-6-10(12)11-7-4-5-9-13(11)15/h2-9H,1H3.
What are the key properties of methyl 2-(2-chlorophenyl)benzoate?
methyl 2-(2-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 2-(2-chlorophenyl)benzoate is sourced from PubChem (CID 1393589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).