ethyl 4-(4-chlorophenyl)butanoate

C12H15ClO2 — CID 14921100

IUPACethyl 4-(4-chlorophenyl)butanoate
SMILESCCOC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-2-15-12(14)5-3-4-10-6-8-11(13)9-7-10/h6-9H,2-5H2,1H3
InChIKeyRSTWVYZFJNQTIE-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.23
Rot. Bonds5

About ethyl 4-(4-chlorophenyl)butanoate

ethyl 4-(4-chlorophenyl)butanoate (PubChem CID 14921100) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenyl)butanoate
PubChem CID14921100
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Nameethyl 4-(4-chlorophenyl)butanoate
SMILESCCOC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-2-15-12(14)5-3-4-10-6-8-11(13)9-7-10/h6-9H,2-5H2,1H3
InChIKeyRSTWVYZFJNQTIE-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 4-(4-chlorophenyl)butanoate 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 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
ethyl 4-(4-chloro-3-fluorophenyl)butanoate
CID 159928363
ethyl 4-[(4-chlorophenyl)methoxy]butanoate
CID 71343720
ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate
CID 108892013
5-O-(4-chlorophenyl) 1-O-ethyl pentanedioate
CID 91718068
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242
ethyl 13-(4-bromophenyl)tridecanoate
CID 134946562
butyl 3-(4-chlorophenyl)propanoate
CID 24808099
diethyl 2-[3-(4-chlorophenyl)propyl]propanedioate
CID 54537439
ethyl 4-[3-[5-(4-ethoxy-4-oxobutyl)-2-hydroxyphenyl]-4-hydroxyphenyl]butanoate
CID 54379044
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)butanoate?
The IUPAC name of ethyl 4-(4-chlorophenyl)butanoate (CID 14921100) is ethyl 4-(4-chlorophenyl)butanoate.
What is the SMILES notation for ethyl 4-(4-chlorophenyl)butanoate?
The canonical SMILES for ethyl 4-(4-chlorophenyl)butanoate is CCOC(=O)CCCc1ccc(Cl)cc1.
What is the InChIKey of ethyl 4-(4-chlorophenyl)butanoate?
The InChIKey is RSTWVYZFJNQTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-2-15-12(14)5-3-4-10-6-8-11(13)9-7-10/h6-9H,2-5H2,1H3.
What are the key properties of ethyl 4-(4-chlorophenyl)butanoate?
ethyl 4-(4-chlorophenyl)butanoate has a molecular weight of 226.70 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenyl)butanoate is sourced from PubChem (CID 14921100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).