ethyl 2-(3-chloro-2-methoxyphenyl)propanoate

C12H15ClO3 — CID 70047747

IUPACethyl 2-(3-chloro-2-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C)c1cccc(Cl)c1OC
InChIInChI=1S/C12H15ClO3/c1-4-16-12(14)8(2)9-6-5-7-10(13)11(9)15-3/h5-8H,4H2,1-3H3
InChIKeyANXPAQNOGWOVJY-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.02
Rot. Bonds4

About ethyl 2-(3-chloro-2-methoxyphenyl)propanoate

ethyl 2-(3-chloro-2-methoxyphenyl)propanoate (PubChem CID 70047747) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is ethyl 2-(3-chloro-2-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-2-methoxyphenyl)propanoate
PubChem CID70047747
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-(3-chloro-2-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C)c1cccc(Cl)c1OC
InChIInChI=1S/C12H15ClO3/c1-4-16-12(14)8(2)9-6-5-7-10(13)11(9)15-3/h5-8H,4H2,1-3H3
InChIKeyANXPAQNOGWOVJY-UHFFFAOYSA-N
XLogP3.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 82619390
2-amino-2-(3-chloro-2-methoxyphenyl)ethanol
CID 82608026
ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate
CID 166132530
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine
CID 83689427
ethyl 2-(2,3-dibromophenyl)propanoate
CID 141245213
ethyl 2-(6-fluoronaphthalen-1-yl)propanoate
CID 58093591
ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117333177
diethyl 2-(3-chloro-2-fluorophenyl)propanedioate
CID 86045257
methyl 2-amino-6-(1-ethoxy-1-oxopropan-2-yl)benzoate
CID 23120368

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-2-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2-(3-chloro-2-methoxyphenyl)propanoate (CID 70047747) is ethyl 2-(3-chloro-2-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-(3-chloro-2-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-(3-chloro-2-methoxyphenyl)propanoate is CCOC(=O)C(C)c1cccc(Cl)c1OC.
What is the InChIKey of ethyl 2-(3-chloro-2-methoxyphenyl)propanoate?
The InChIKey is ANXPAQNOGWOVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-4-16-12(14)8(2)9-6-5-7-10(13)11(9)15-3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-(3-chloro-2-methoxyphenyl)propanoate?
ethyl 2-(3-chloro-2-methoxyphenyl)propanoate has a molecular weight of 242.70 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-2-methoxyphenyl)propanoate is sourced from PubChem (CID 70047747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).