1,1'-biphenyl;2-methyloxirane

C15H16O — CID 87315109

IUPAC1,1'-biphenyl;2-methyloxirane
SMILESCC1CO1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H6O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2-4-3/h1-10H;3H,2H2,1H3
InChIKeyJXTCVQBGTGMWOF-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.76
Rot. Bonds1

About 1,1'-biphenyl;2-methyloxirane

1,1'-biphenyl;2-methyloxirane (PubChem CID 87315109) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 1,1'-biphenyl;2-methyloxirane.

Molecular Properties

Compound Name1,1'-biphenyl;2-methyloxirane
PubChem CID87315109
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name1,1'-biphenyl;2-methyloxirane
SMILESCC1CO1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H6O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2-4-3/h1-10H;3H,2H2,1H3
InChIKeyJXTCVQBGTGMWOF-UHFFFAOYSA-N
XLogP3.76
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.76
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 1,1'-biphenyl;2-methyloxirane?
The IUPAC name of 1,1'-biphenyl;2-methyloxirane (CID 87315109) is 1,1'-biphenyl;2-methyloxirane.
What is the SMILES notation for 1,1'-biphenyl;2-methyloxirane?
The canonical SMILES for 1,1'-biphenyl;2-methyloxirane is CC1CO1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2-methyloxirane?
The InChIKey is JXTCVQBGTGMWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C3H6O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2-4-3/h1-10H;3H,2H2,1H3.
What are the key properties of 1,1'-biphenyl;2-methyloxirane?
1,1'-biphenyl;2-methyloxirane has a molecular weight of 212.29 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-methyloxirane is sourced from PubChem (CID 87315109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).