2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane

C18H18O — CID 20710247

IUPAC2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane
SMILESC=Cc1ccc(CCC2(c3ccccc3)CO2)cc1
InChIInChI=1S/C18H18O/c1-2-15-8-10-16(11-9-15)12-13-18(14-19-18)17-6-4-3-5-7-17/h2-11H,1,12-14H2
InChIKeyTYSOCARGOBJPBU-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.19
Rot. Bonds5

About 2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane

2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane (PubChem CID 20710247) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane.

Molecular Properties

Compound Name2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane
PubChem CID20710247
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane
SMILESC=Cc1ccc(CCC2(c3ccccc3)CO2)cc1
InChIInChI=1S/C18H18O/c1-2-15-8-10-16(11-9-15)12-13-18(14-19-18)17-6-4-3-5-7-17/h2-11H,1,12-14H2
InChIKeyTYSOCARGOBJPBU-UHFFFAOYSA-N
XLogP4.19
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.19
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

1-[2-(4-ethenylphenyl)ethyl]cyclopropan-1-ol
CID 129180532
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
1-ethenyl-4-[2-(1-methylcyclobutyl)ethyl]benzene
CID 144986695
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
1-benzyl-4-[(4-ethenylphenyl)methyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 15187995
1,3-bis[2-(4-ethenylphenyl)ethyl]benzene
CID 20738929
1-ethenyl-4-(phenylselanylmethyl)benzene
CID 100961449
2-(4-ethenylphenyl)ethanol;2-[(4-ethenylphenyl)methyl]oxirane;styrene
CID 87308864
6,6-dimethyl-3-phenyl-3-(2-phenylethyl)-1,2,4-trioxane
CID 15549418
1-(2-ethenoxyethyl)-4-ethenylbenzene
CID 23031073
2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene
CID 159854693
2-phenyl-2-(3-prop-1-enoxypropyl)oxirane
CID 151187186

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane?
The IUPAC name of 2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane (CID 20710247) is 2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane.
What is the SMILES notation for 2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane?
The canonical SMILES for 2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane is C=Cc1ccc(CCC2(c3ccccc3)CO2)cc1.
What is the InChIKey of 2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane?
The InChIKey is TYSOCARGOBJPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-2-15-8-10-16(11-9-15)12-13-18(14-19-18)17-6-4-3-5-7-17/h2-11H,1,12-14H2.
What are the key properties of 2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane?
2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane has a molecular weight of 250.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethenylphenyl)ethyl]-2-phenyloxirane is sourced from PubChem (CID 20710247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).