4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane

C13H16Cl2O — CID 114822941

IUPAC4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane
SMILESCC1CC(C(Cl)Cc2ccccc2Cl)CO1
InChIInChI=1S/C13H16Cl2O/c1-9-6-11(8-16-9)13(15)7-10-4-2-3-5-12(10)14/h2-5,9,11,13H,6-8H2,1H3
InChIKeyAWBWAFVPRREXKL-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.91
Rot. Bonds3

About 4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane

4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane (PubChem CID 114822941) has the molecular formula C13H16Cl2O and a molecular weight of 259.18 g/mol. Its IUPAC name is 4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane.

Molecular Properties

Compound Name4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane
PubChem CID114822941
Molecular FormulaC13H16Cl2O
Molecular Weight259.18 g/mol
Exact Mass258.06
IUPAC Name4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane
SMILESCC1CC(C(Cl)Cc2ccccc2Cl)CO1
InChIInChI=1S/C13H16Cl2O/c1-9-6-11(8-16-9)13(15)7-10-4-2-3-5-12(10)14/h2-5,9,11,13H,6-8H2,1H3
InChIKeyAWBWAFVPRREXKL-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[1-chloro-2-(2-nitrophenyl)ethyl]-2-methyloxolane
CID 114822953
4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine
CID 114823994
2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825779
[2-(2,5-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethyl]hydrazine
CID 105309927
2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825906
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 106866403
4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane
CID 114826999
4-[1-bromo-2-(4-chlorophenyl)ethyl]-2-methyloxolane
CID 114823010
4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane
CID 114826811
1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine
CID 115794492
1-(5-methyloxolan-3-yl)-2-(2-nitrophenyl)ethanol
CID 114822901
N-[2-(2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825874

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane?
The IUPAC name of 4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane (CID 114822941) is 4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane.
What is the SMILES notation for 4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane?
The canonical SMILES for 4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane is CC1CC(C(Cl)Cc2ccccc2Cl)CO1.
What is the InChIKey of 4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane?
The InChIKey is AWBWAFVPRREXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O/c1-9-6-11(8-16-9)13(15)7-10-4-2-3-5-12(10)14/h2-5,9,11,13H,6-8H2,1H3.
What are the key properties of 4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane?
4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane has a molecular weight of 259.18 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane is sourced from PubChem (CID 114822941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).