2-(4-ethenylphenyl)-3-propyloxirane

C13H16O — CID 151430407

IUPAC2-(4-ethenylphenyl)-3-propyloxirane
SMILESC=Cc1ccc(C2OC2CCC)cc1
InChIInChI=1S/C13H16O/c1-3-5-12-13(14-12)11-8-6-10(4-2)7-9-11/h4,6-9,12-13H,2-3,5H2,1H3
InChIKeyPCJZLIHSMJNMBG-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.57
Rot. Bonds4

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

2-(4-ethenylphenyl)-3-propyloxirane (PubChem CID 151430407) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)-3-propyloxirane.

Molecular Properties

Compound Name2-(4-ethenylphenyl)-3-propyloxirane
PubChem CID151430407
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-(4-ethenylphenyl)-3-propyloxirane
SMILESC=Cc1ccc(C2OC2CCC)cc1
InChIInChI=1S/C13H16O/c1-3-5-12-13(14-12)11-8-6-10(4-2)7-9-11/h4,6-9,12-13H,2-3,5H2,1H3
InChIKeyPCJZLIHSMJNMBG-UHFFFAOYSA-N
XLogP3.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.57
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-[(3E)-hexa-3,5-dienyl]-3-phenyloxirane
CID 22768325
1-cyclobutyl-4-ethenylbenzene;pentane
CID 144867971
2-(4-ethenylphenyl)-5-heptyl-1,3-dioxane
CID 13130746
2-(3-ethenylphenyl)-3-[[3-(3-ethenylphenyl)oxiran-2-yl]methoxymethyl]oxirane
CID 141309425
1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 90958460
methyl 4-[(2R,3R)-3-butyloxiran-2-yl]benzoate
CID 134928063
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-(2-propylphenyl)benzene
CID 90768054
bis(1,4-bis(ethenyl)benzene);chloro(ethyl)silane
CID 162209740
lithium;benzene;butane;styrene
CID 174564068
N-pentylpentan-1-amine;styrene
CID 69462371

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)-3-propyloxirane?
The IUPAC name of 2-(4-ethenylphenyl)-3-propyloxirane (CID 151430407) is 2-(4-ethenylphenyl)-3-propyloxirane.
What is the SMILES notation for 2-(4-ethenylphenyl)-3-propyloxirane?
The canonical SMILES for 2-(4-ethenylphenyl)-3-propyloxirane is C=Cc1ccc(C2OC2CCC)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)-3-propyloxirane?
The InChIKey is PCJZLIHSMJNMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-5-12-13(14-12)11-8-6-10(4-2)7-9-11/h4,6-9,12-13H,2-3,5H2,1H3.
What are the key properties of 2-(4-ethenylphenyl)-3-propyloxirane?
2-(4-ethenylphenyl)-3-propyloxirane has a molecular weight of 188.27 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)-3-propyloxirane is sourced from PubChem (CID 151430407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).