ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate

C12H15ClO3 — CID 106866425

IUPACethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
SMILESCCOC(=O)C(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C12H15ClO3/c1-3-16-12(15)11(14)7-9-5-4-8(2)6-10(9)13/h4-6,11,14H,3,7H2,1-2H3
InChIKeyODXDFNWEILRROE-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.11
Rot. Bonds4

About ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate

ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate (PubChem CID 106866425) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
PubChem CID106866425
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Nameethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
SMILESCCOC(=O)C(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C12H15ClO3/c1-3-16-12(15)11(14)7-9-5-4-8(2)6-10(9)13/h4-6,11,14H,3,7H2,1-2H3
InChIKeyODXDFNWEILRROE-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(2-chloro-4-methylphenyl)-2-cyanopropanoate
CID 106865462
ethyl (4R)-4-amino-5-(4-bromo-2-chlorophenyl)-2-hydroxypentanoate
CID 126659777
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
CID 106867394
2-bromo-3-(2-chloro-4-methylphenyl)propanamide
CID 104512971
1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
CID 106867286
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
ethyl 3-(4-fluoro-2-methylphenyl)-2-hydroxypropanoate
CID 114346916
1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
CID 106867571
ethyl 3-(4-bromo-2-chlorophenyl)-2-chloropropanoate
CID 83195199
diethyl 2-(2-chloro-4-methylphenyl)propanedioate
CID 86045274
ethyl (2R,4R)-4-amino-5-(4-bromo-2-chlorophenyl)-2-hydroxy-3-oxopentanoate
CID 135215437
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one
CID 106865364

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate?
The IUPAC name of ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate (CID 106866425) is ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate.
What is the SMILES notation for ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate?
The canonical SMILES for ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate is CCOC(=O)C(O)Cc1ccc(C)cc1Cl.
What is the InChIKey of ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate?
The InChIKey is ODXDFNWEILRROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-3-16-12(15)11(14)7-9-5-4-8(2)6-10(9)13/h4-6,11,14H,3,7H2,1-2H3.
What are the key properties of ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate?
ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate has a molecular weight of 242.70 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate is sourced from PubChem (CID 106866425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).