ethyl 5-chloro-2-(2-methylphenyl)benzoate

C16H15ClO2 — CID 142890235

IUPACethyl 5-chloro-2-(2-methylphenyl)benzoate
SMILESCCOC(=O)c1cc(Cl)ccc1-c1ccccc1C
InChIInChI=1S/C16H15ClO2/c1-3-19-16(18)15-10-12(17)8-9-14(15)13-7-5-4-6-11(13)2/h4-10H,3H2,1-2H3
InChIKeyXGSMULWIOCBHOA-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.49
Rot. Bonds3

About ethyl 5-chloro-2-(2-methylphenyl)benzoate

ethyl 5-chloro-2-(2-methylphenyl)benzoate (PubChem CID 142890235) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is ethyl 5-chloro-2-(2-methylphenyl)benzoate.

Molecular Properties

Compound Nameethyl 5-chloro-2-(2-methylphenyl)benzoate
PubChem CID142890235
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Nameethyl 5-chloro-2-(2-methylphenyl)benzoate
SMILESCCOC(=O)c1cc(Cl)ccc1-c1ccccc1C
InChIInChI=1S/C16H15ClO2/c1-3-19-16(18)15-10-12(17)8-9-14(15)13-7-5-4-6-11(13)2/h4-10H,3H2,1-2H3
InChIKeyXGSMULWIOCBHOA-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;ethyl 2-(2-chloro-4-methylphenyl)benzoate
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ethyl 5-chloro-2-phenoxybenzoate
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ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate
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ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate
CID 16725910
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate
CID 142540959
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
ethyl 5-chloro-2-methylsulfonylbenzoate
CID 82551225
ethyl 5-(3-ethoxycarbonyl-5-methylphenyl)-4-methyl-2-(2-methylphenyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-(2-methylphenyl)benzoate?
The IUPAC name of ethyl 5-chloro-2-(2-methylphenyl)benzoate (CID 142890235) is ethyl 5-chloro-2-(2-methylphenyl)benzoate.
What is the SMILES notation for ethyl 5-chloro-2-(2-methylphenyl)benzoate?
The canonical SMILES for ethyl 5-chloro-2-(2-methylphenyl)benzoate is CCOC(=O)c1cc(Cl)ccc1-c1ccccc1C.
What is the InChIKey of ethyl 5-chloro-2-(2-methylphenyl)benzoate?
The InChIKey is XGSMULWIOCBHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-3-19-16(18)15-10-12(17)8-9-14(15)13-7-5-4-6-11(13)2/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 5-chloro-2-(2-methylphenyl)benzoate?
ethyl 5-chloro-2-(2-methylphenyl)benzoate has a molecular weight of 274.75 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-(2-methylphenyl)benzoate is sourced from PubChem (CID 142890235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).