2,2-bis(4-methylphenyl)oxirane

C16H16O — CID 12692604

IUPAC2,2-bis(4-methylphenyl)oxirane
SMILESCc1ccc(C2(c3ccc(C)cc3)CO2)cc1
InChIInChI=1S/C16H16O/c1-12-3-7-14(8-4-12)16(11-17-16)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKeyGFVAVJKONBBDGB-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.58
Rot. Bonds2

About 2,2-bis(4-methylphenyl)oxirane

2,2-bis(4-methylphenyl)oxirane (PubChem CID 12692604) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,2-bis(4-methylphenyl)oxirane.

Molecular Properties

Compound Name2,2-bis(4-methylphenyl)oxirane
PubChem CID12692604
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2,2-bis(4-methylphenyl)oxirane
SMILESCc1ccc(C2(c3ccc(C)cc3)CO2)cc1
InChIInChI=1S/C16H16O/c1-12-3-7-14(8-4-12)16(11-17-16)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKeyGFVAVJKONBBDGB-UHFFFAOYSA-N
XLogP3.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
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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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methylphenyl)oxirane?
The IUPAC name of 2,2-bis(4-methylphenyl)oxirane (CID 12692604) is 2,2-bis(4-methylphenyl)oxirane.
What is the SMILES notation for 2,2-bis(4-methylphenyl)oxirane?
The canonical SMILES for 2,2-bis(4-methylphenyl)oxirane is Cc1ccc(C2(c3ccc(C)cc3)CO2)cc1.
What is the InChIKey of 2,2-bis(4-methylphenyl)oxirane?
The InChIKey is GFVAVJKONBBDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-12-3-7-14(8-4-12)16(11-17-16)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3.
What are the key properties of 2,2-bis(4-methylphenyl)oxirane?
2,2-bis(4-methylphenyl)oxirane has a molecular weight of 224.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methylphenyl)oxirane is sourced from PubChem (CID 12692604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).