ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate

C19H19ClO3 — CID 11695630

IUPACethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate
SMILESCCOC(=O)CC(CC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClO3/c1-2-23-19(22)13-16(14-8-10-17(20)11-9-14)12-18(21)15-6-4-3-5-7-15/h3-11,16H,2,12-13H2,1H3
InChIKeyPKLHKDMASUNDTI-UHFFFAOYSA-N
MW330.81 g/mol
LogP4.65
Rot. Bonds7

About ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate

ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate (PubChem CID 11695630) has the molecular formula C19H19ClO3 and a molecular weight of 330.81 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate
PubChem CID11695630
Molecular FormulaC19H19ClO3
Molecular Weight330.81 g/mol
Exact Mass330.10
IUPAC Nameethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate
SMILESCCOC(=O)CC(CC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClO3/c1-2-23-19(22)13-16(14-8-10-17(20)11-9-14)12-18(21)15-6-4-3-5-7-15/h3-11,16H,2,12-13H2,1H3
InChIKeyPKLHKDMASUNDTI-UHFFFAOYSA-N
XLogP4.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate 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-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
1,3-bis(4-chlorophenyl)-5-(4-methylphenyl)pentane-1,5-dione
CID 66572947
(3S)-1-(4-chlorophenyl)-3-phenylhexane-1,5-dione
CID 46242276
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 57258892
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
(2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid
CID 10827030
(3S)-5-ethoxy-5-oxo-3-phenylpentanoate
CID 71354440
5-ethoxy-5-oxo-3-phenylpentanoate
CID 71341671
ethyl 2-(4-chlorophenyl)sulfanyl-4-oxo-4-phenylbutanoate
CID 10337847
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
(3R)-1,3-diphenylpentan-1-one
CID 11042799
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate (CID 11695630) is ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate is CCOC(=O)CC(CC(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate?
The InChIKey is PKLHKDMASUNDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO3/c1-2-23-19(22)13-16(14-8-10-17(20)11-9-14)12-18(21)15-6-4-3-5-7-15/h3-11,16H,2,12-13H2,1H3.
What are the key properties of ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate?
ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate has a molecular weight of 330.81 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate is sourced from PubChem (CID 11695630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).