methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate

C13H17ClO2 — CID 142833318

IUPACmethyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate
SMILESCCc1cccc(Cl)c1CC(C)C(=O)OC
InChIInChI=1S/C13H17ClO2/c1-4-10-6-5-7-12(14)11(10)8-9(2)13(15)16-3/h5-7,9H,4,8H2,1-3H3
InChIKeyHIBGUQUHKLLIAG-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.25
Rot. Bonds4

About methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate

methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate (PubChem CID 142833318) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate
PubChem CID142833318
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Namemethyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate
SMILESCCc1cccc(Cl)c1CC(C)C(=O)OC
InChIInChI=1S/C13H17ClO2/c1-4-10-6-5-7-12(14)11(10)8-9(2)13(15)16-3/h5-7,9H,4,8H2,1-3H3
InChIKeyHIBGUQUHKLLIAG-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl 2-[(2,6-dichlorophenyl)methyl]propanedioate
CID 103972399
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457
methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 93035184
methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate
CID 171238083
methyl 3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 43398429
methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate
CID 154663198
2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid
CID 117361170
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
3-(3-chloro-2-ethylphenyl)-2-methylpropanal
CID 91884073
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
methyl (2S)-2-acetamido-3-(2-ethyl-6-methylphenyl)propanoate
CID 11507224
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate?
The IUPAC name of methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate (CID 142833318) is methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate is CCc1cccc(Cl)c1CC(C)C(=O)OC.
What is the InChIKey of methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate?
The InChIKey is HIBGUQUHKLLIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-4-10-6-5-7-12(14)11(10)8-9(2)13(15)16-3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate?
methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate has a molecular weight of 240.73 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate is sourced from PubChem (CID 142833318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).