2-[2-(3-chlorophenyl)ethyl]oxirane

C10H11ClO — CID 22123721

IUPAC2-[2-(3-chlorophenyl)ethyl]oxirane
SMILESClc1cccc(CCC2CO2)c1
InChIInChI=1S/C10H11ClO/c11-9-3-1-2-8(6-9)4-5-10-7-12-10/h1-3,6,10H,4-5,7H2
InChIKeySNDDVDBTYPMUKJ-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.67
Rot. Bonds3

About 2-[2-(3-chlorophenyl)ethyl]oxirane

2-[2-(3-chlorophenyl)ethyl]oxirane (PubChem CID 22123721) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethyl]oxirane.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethyl]oxirane
PubChem CID22123721
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name2-[2-(3-chlorophenyl)ethyl]oxirane
SMILESClc1cccc(CCC2CO2)c1
InChIInChI=1S/C10H11ClO/c11-9-3-1-2-8(6-9)4-5-10-7-12-10/h1-3,6,10H,4-5,7H2
InChIKeySNDDVDBTYPMUKJ-UHFFFAOYSA-N
XLogP2.67
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-ethenylphenyl)ethyl]oxirane
CID 54340716
3-[(3-chlorophenyl)methyl]oxetane
CID 129453186
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
2-[3-(3-methylphenyl)propyl]oxirane
CID 10931973
(2S)-2-[2-(3-chlorophenyl)ethyl]piperazine
CID 58860729
2-butyl-4-[(3-chlorophenyl)methyl]oxolane
CID 166436789
2-[2-[(3-chlorophenyl)methyl]-1,3-dioxolan-4-yl]acetonitrile
CID 117169511
3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine
CID 82080374
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802
(3aS,4S,6aS)-4-[2-(3-chlorophenyl)ethyl]-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
CID 91752682
magnesium;1-chloro-3-propylbenzene;bromide
CID 88733615
1-chloro-3-(3-fluoropropyl)benzene
CID 54201496

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethyl]oxirane?
The IUPAC name of 2-[2-(3-chlorophenyl)ethyl]oxirane (CID 22123721) is 2-[2-(3-chlorophenyl)ethyl]oxirane.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethyl]oxirane?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethyl]oxirane is Clc1cccc(CCC2CO2)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethyl]oxirane?
The InChIKey is SNDDVDBTYPMUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c11-9-3-1-2-8(6-9)4-5-10-7-12-10/h1-3,6,10H,4-5,7H2.
What are the key properties of 2-[2-(3-chlorophenyl)ethyl]oxirane?
2-[2-(3-chlorophenyl)ethyl]oxirane has a molecular weight of 182.65 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethyl]oxirane is sourced from PubChem (CID 22123721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).