ethyl 3-(4-chloro-3-methylphenoxy)propanoate

C12H15ClO3 — CID 43174157

IUPACethyl 3-(4-chloro-3-methylphenoxy)propanoate
SMILESCCOC(=O)CCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C12H15ClO3/c1-3-15-12(14)6-7-16-10-4-5-11(13)9(2)8-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyKQBMKWRNPUZZLS-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.98
Rot. Bonds5

About ethyl 3-(4-chloro-3-methylphenoxy)propanoate

ethyl 3-(4-chloro-3-methylphenoxy)propanoate (PubChem CID 43174157) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is ethyl 3-(4-chloro-3-methylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-chloro-3-methylphenoxy)propanoate
PubChem CID43174157
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Nameethyl 3-(4-chloro-3-methylphenoxy)propanoate
SMILESCCOC(=O)CCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C12H15ClO3/c1-3-15-12(14)6-7-16-10-4-5-11(13)9(2)8-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyKQBMKWRNPUZZLS-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(4-chloro-3-methylphenoxy)propanoate 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

3-[2-(4-chloro-3-methylphenoxy)ethyl-methylamino]propanoic acid
CID 82224188
6-O-(4-chloro-3-methylphenyl) 1-O-propyl hexanedioate
CID 91704904
ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate
CID 156857056
[2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404344
ethyl 3-[4-(2-aminoethoxy)-2-methylphenyl]propanoate
CID 164576670
6-O-(4-chloro-3-methylphenyl) 1-O-pentyl hexanedioate
CID 91713910
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
5-O-(4-chloro-3-methylphenyl) 1-O-hexadecyl pentanedioate
CID 91707988
7-O-(4-chloro-3-methylphenyl) 1-O-pentyl heptanedioate
CID 91717765
3-[4-(4-chloro-3-methylphenoxy)butanoyl-methylamino]propanoic acid
CID 119362528
7-O-(4-chloro-3-methylphenyl) 1-O-undecyl heptanedioate
CID 91717787
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chloro-3-methylphenoxy)propanoate?
The IUPAC name of ethyl 3-(4-chloro-3-methylphenoxy)propanoate (CID 43174157) is ethyl 3-(4-chloro-3-methylphenoxy)propanoate.
What is the SMILES notation for ethyl 3-(4-chloro-3-methylphenoxy)propanoate?
The canonical SMILES for ethyl 3-(4-chloro-3-methylphenoxy)propanoate is CCOC(=O)CCOc1ccc(Cl)c(C)c1.
What is the InChIKey of ethyl 3-(4-chloro-3-methylphenoxy)propanoate?
The InChIKey is KQBMKWRNPUZZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-3-15-12(14)6-7-16-10-4-5-11(13)9(2)8-10/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of ethyl 3-(4-chloro-3-methylphenoxy)propanoate?
ethyl 3-(4-chloro-3-methylphenoxy)propanoate has a molecular weight of 242.70 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chloro-3-methylphenoxy)propanoate is sourced from PubChem (CID 43174157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).