2-(4-chlorophenyl)-3-propyloxirane

C11H13ClO — CID 85290770

IUPAC2-(4-chlorophenyl)-3-propyloxirane
SMILESCCCC1OC1c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO/c1-2-3-10-11(13-10)8-4-6-9(12)7-5-8/h4-7,10-11H,2-3H2,1H3
InChIKeyIQRGXRRPXSFFIX-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-chlorophenyl)-3-propyloxirane

2-(4-chlorophenyl)-3-propyloxirane (PubChem CID 85290770) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-propyloxirane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-propyloxirane
PubChem CID85290770
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name2-(4-chlorophenyl)-3-propyloxirane
SMILESCCCC1OC1c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO/c1-2-3-10-11(13-10)8-4-6-9(12)7-5-8/h4-7,10-11H,2-3H2,1H3
InChIKeyIQRGXRRPXSFFIX-UHFFFAOYSA-N
XLogP3.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.58
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-(4-ethenylphenyl)-3-propyloxirane
CID 151430407
[(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane
CID 15879825
(2S,3R,4R,5S)-2-(4-chlorophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175028100
(2S)-2-(4-chlorophenyl)-3-ethenyloxirane
CID 101260589
methyl 4-[(2R,3R)-3-butyloxiran-2-yl]benzoate
CID 134928063
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
(2R,3R,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethyloxan-4-ol
CID 139065834
ethane;2-(3-phenyloxiran-2-yl)ethanol
CID 143522200
1-[(2R,3S)-3-(4-chlorophenyl)oxiran-2-yl]ethanone
CID 101197056
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
2-[2-(4-chlorophenyl)ethyl]-3-ethyloxirane
CID 83931190

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-propyloxirane?
The IUPAC name of 2-(4-chlorophenyl)-3-propyloxirane (CID 85290770) is 2-(4-chlorophenyl)-3-propyloxirane.
What is the SMILES notation for 2-(4-chlorophenyl)-3-propyloxirane?
The canonical SMILES for 2-(4-chlorophenyl)-3-propyloxirane is CCCC1OC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-propyloxirane?
The InChIKey is IQRGXRRPXSFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-2-3-10-11(13-10)8-4-6-9(12)7-5-8/h4-7,10-11H,2-3H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-propyloxirane?
2-(4-chlorophenyl)-3-propyloxirane has a molecular weight of 196.68 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-propyloxirane is sourced from PubChem (CID 85290770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).