1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one

C14H17ClO2 — CID 106867100

IUPAC1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one
SMILESCc1ccc(CC(=O)CC2CCOC2)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-10-2-3-12(14(15)6-10)8-13(16)7-11-4-5-17-9-11/h2-3,6,11H,4-5,7-9H2,1H3
InChIKeyWQUDCTXXQLONFG-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.19
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one

1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one (PubChem CID 106867100) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one
PubChem CID106867100
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one
SMILESCc1ccc(CC(=O)CC2CCOC2)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-10-2-3-12(14(15)6-10)8-13(16)7-11-4-5-17-9-11/h2-3,6,11H,4-5,7-9H2,1H3
InChIKeyWQUDCTXXQLONFG-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one 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

1-(2-chloro-5-fluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 102617804
2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone
CID 106865356
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-amine
CID 106868732
1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986260
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 103986233
1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
CID 55096319
1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one
CID 62622306
1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 103986174
2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43193588
2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 106865766
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986084

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one (CID 106867100) is 1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one is Cc1ccc(CC(=O)CC2CCOC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one?
The InChIKey is WQUDCTXXQLONFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-10-2-3-12(14(15)6-10)8-13(16)7-11-4-5-17-9-11/h2-3,6,11H,4-5,7-9H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one?
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one has a molecular weight of 252.74 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one is sourced from PubChem (CID 106867100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).