2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone

C15H19ClO2 — CID 65155688

IUPAC2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone
SMILESCC1OC(C)C(C(=O)Cc2ccc(Cl)cc2)C1C
InChIInChI=1S/C15H19ClO2/c1-9-10(2)18-11(3)15(9)14(17)8-12-4-6-13(16)7-5-12/h4-7,9-11,15H,8H2,1-3H3
InChIKeyYNLFNOSEBRTISL-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.51
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone

2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone (PubChem CID 65155688) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone
PubChem CID65155688
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone
SMILESCC1OC(C)C(C(=O)Cc2ccc(Cl)cc2)C1C
InChIInChI=1S/C15H19ClO2/c1-9-10(2)18-11(3)15(9)14(17)8-12-4-6-13(16)7-5-12/h4-7,9-11,15H,8H2,1-3H3
InChIKeyYNLFNOSEBRTISL-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone 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 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate
CID 2742178
Ethyl 2-(4-chlorobenzyl)acetoacetate
CID 2757404
3-(4-Chloro-phenyl)-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 23449986
1-(4-Chlorophenyl)-5-hydroxyoctan-3-one
CID 156014244
4-(p-Chlorophenyl)dihydrofuran-2(3H)-one
CID 3015294
4-Acetyl-5-(4-chlorophenyl)oxolan-2-one
CID 3068210
Methyl 1-[(4-chlorophenyl)methyl]-3-methyl-2-oxocyclopentane-1-carboxylate
CID 11482916
3-((4-Chlorophenyl)methyl)oxolane-2,5-dione
CID 20586611
(3R,4R)-4-benzyl-3-[(4-chlorophenyl)methyl]oxolan-2-one
CID 137641030
Ethyl 2-(4-chlorophenyl)cyclopropanecarboxylate
CID 533756
2-(2-Chlorophenyl)-1-(oxolan-3-yl)ethan-1-one
CID 61276674
Ethyl 3-oxo-4-(2-fluoro-6-chlorophenyl)-2-ethyl-butanoate
CID 63022493

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone (CID 65155688) is 2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone is CC1OC(C)C(C(=O)Cc2ccc(Cl)cc2)C1C.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone?
The InChIKey is YNLFNOSEBRTISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-9-10(2)18-11(3)15(9)14(17)8-12-4-6-13(16)7-5-12/h4-7,9-11,15H,8H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone?
2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone has a molecular weight of 266.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone is sourced from PubChem (CID 65155688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).