2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone

C13H15ClO2 — CID 114825779

IUPAC2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone
SMILESCC1CC(C(=O)Cc2ccccc2Cl)CO1
InChIInChI=1S/C13H15ClO2/c1-9-6-11(8-16-9)13(15)7-10-4-2-3-5-12(10)14/h2-5,9,11H,6-8H2,1H3
InChIKeyKXPWIBYTKRKKEX-UHFFFAOYSA-N
MW238.71 g/mol
LogP2.88
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone

2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone (PubChem CID 114825779) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone
PubChem CID114825779
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone
SMILESCC1CC(C(=O)Cc2ccccc2Cl)CO1
InChIInChI=1S/C13H15ClO2/c1-9-6-11(8-16-9)13(15)7-10-4-2-3-5-12(10)14/h2-5,9,11H,6-8H2,1H3
InChIKeyKXPWIBYTKRKKEX-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114967227
1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone
CID 114825947
2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 115795793
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825946
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114965714
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone
CID 116592173
4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane
CID 114822941
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114964753
1-(5-methyloxolan-3-yl)but-3-en-1-one
CID 114964274

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone (CID 114825779) is 2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone is CC1CC(C(=O)Cc2ccccc2Cl)CO1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone?
The InChIKey is KXPWIBYTKRKKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-9-6-11(8-16-9)13(15)7-10-4-2-3-5-12(10)14/h2-5,9,11H,6-8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone?
2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone has a molecular weight of 238.71 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone is sourced from PubChem (CID 114825779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).