methyl 3-(3-chloro-4-ethylphenyl)benzoate

C16H15ClO2 — CID 71020930

IUPACmethyl 3-(3-chloro-4-ethylphenyl)benzoate
SMILESCCc1ccc(-c2cccc(C(=O)OC)c2)cc1Cl
InChIInChI=1S/C16H15ClO2/c1-3-11-7-8-13(10-15(11)17)12-5-4-6-14(9-12)16(18)19-2/h4-10H,3H2,1-2H3
InChIKeyKWMIOCQPTZVGBF-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.36
Rot. Bonds3

About methyl 3-(3-chloro-4-ethylphenyl)benzoate

methyl 3-(3-chloro-4-ethylphenyl)benzoate (PubChem CID 71020930) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is methyl 3-(3-chloro-4-ethylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(3-chloro-4-ethylphenyl)benzoate
PubChem CID71020930
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Namemethyl 3-(3-chloro-4-ethylphenyl)benzoate
SMILESCCc1ccc(-c2cccc(C(=O)OC)c2)cc1Cl
InChIInChI=1S/C16H15ClO2/c1-3-11-7-8-13(10-15(11)17)12-5-4-6-14(9-12)16(18)19-2/h4-10H,3H2,1-2H3
InChIKeyKWMIOCQPTZVGBF-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(3-methoxycarbonylphenyl)benzoate
CID 86307307
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
dimethyl 4-(3-methoxycarbonylphenyl)benzene-1,2-dicarboxylate
CID 11404679
methyl 3-(1,3-benzodioxol-5-yl)benzoate
CID 50888522
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 3-(4-fluoro-3-methylphenyl)benzoate
CID 75488193
methyl 3-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43217500
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate
CID 79036936
methyl 3-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]benzoate
CID 20601400

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chloro-4-ethylphenyl)benzoate?
The IUPAC name of methyl 3-(3-chloro-4-ethylphenyl)benzoate (CID 71020930) is methyl 3-(3-chloro-4-ethylphenyl)benzoate.
What is the SMILES notation for methyl 3-(3-chloro-4-ethylphenyl)benzoate?
The canonical SMILES for methyl 3-(3-chloro-4-ethylphenyl)benzoate is CCc1ccc(-c2cccc(C(=O)OC)c2)cc1Cl.
What is the InChIKey of methyl 3-(3-chloro-4-ethylphenyl)benzoate?
The InChIKey is KWMIOCQPTZVGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-3-11-7-8-13(10-15(11)17)12-5-4-6-14(9-12)16(18)19-2/h4-10H,3H2,1-2H3.
What are the key properties of methyl 3-(3-chloro-4-ethylphenyl)benzoate?
methyl 3-(3-chloro-4-ethylphenyl)benzoate has a molecular weight of 274.75 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chloro-4-ethylphenyl)benzoate is sourced from PubChem (CID 71020930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).