3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane

C14H15ClO — CID 57380797

IUPAC3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane
SMILESC=CCC1(CC=C)OC1c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClO/c1-3-9-14(10-4-2)13(16-14)11-5-7-12(15)8-6-11/h3-8,13H,1-2,9-10H2
InChIKeyVPDWJMCEAMBAGU-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.30
Rot. Bonds5

About 3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane

3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane (PubChem CID 57380797) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane
PubChem CID57380797
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane
SMILESC=CCC1(CC=C)OC1c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClO/c1-3-9-14(10-4-2)13(16-14)11-5-7-12(15)8-6-11/h3-8,13H,1-2,9-10H2
InChIKeyVPDWJMCEAMBAGU-UHFFFAOYSA-N
XLogP4.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-chlorophenyl)-3-ethenyloxirane
CID 101260589
1-chloro-4-[4-(1-prop-2-enylcyclohexyl)cyclohexyl]benzene
CID 70542623
tert-butyl-[(2R,3R)-3-(4-chlorophenyl)-1-phenyl-2-prop-2-enylaziridin-2-yl]-dimethylsilane
CID 134984632
(2R,3R,5S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-5-methyl-5-prop-2-enyloxane
CID 141326895
5-but-3-enyl-2-(4-chlorophenyl)-1,3-dioxane
CID 18652891
(2R,4S)-2-(4-chlorophenyl)-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 40532289
3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane
CID 56927325
(2S,3S)-3-(4-chlorophenyl)-2-(2-methylprop-1-enyl)oxirane-2-carbonitrile
CID 100985799
(3R)-6-(4-chlorophenyl)-1-(1-cyclopropyl-2-hydroxypropyl)-3-methyl-3-prop-2-enylpiperidin-2-one
CID 138641817
(4R)-4-(4-chlorophenyl)-6-prop-2-enyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7387699
4,5,9,10-tetrakis(4-chlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374957
magnesium;1-chloro-4-ethenylbenzene;hydride
CID 173109944

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane?
The IUPAC name of 3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane (CID 57380797) is 3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane.
What is the SMILES notation for 3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane?
The canonical SMILES for 3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane is C=CCC1(CC=C)OC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane?
The InChIKey is VPDWJMCEAMBAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO/c1-3-9-14(10-4-2)13(16-14)11-5-7-12(15)8-6-11/h3-8,13H,1-2,9-10H2.
What are the key properties of 3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane?
3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane has a molecular weight of 234.73 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane is sourced from PubChem (CID 57380797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).