1,1'-biphenyl;2-chloro-3-methyloxirane

C15H15ClO — CID 174592188

IUPAC1,1'-biphenyl;2-chloro-3-methyloxirane
SMILESCC1OC1Cl.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H5ClO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3(4)5-2/h1-10H;2-3H,1H3
InChIKeyIYJQXJAOTNWCIH-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.32
Rot. Bonds1

About 1,1'-biphenyl;2-chloro-3-methyloxirane

1,1'-biphenyl;2-chloro-3-methyloxirane (PubChem CID 174592188) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1,1'-biphenyl;2-chloro-3-methyloxirane.

Molecular Properties

Compound Name1,1'-biphenyl;2-chloro-3-methyloxirane
PubChem CID174592188
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1,1'-biphenyl;2-chloro-3-methyloxirane
SMILESCC1OC1Cl.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H5ClO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3(4)5-2/h1-10H;2-3H,1H3
InChIKeyIYJQXJAOTNWCIH-UHFFFAOYSA-N
XLogP4.32
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-chloro-3-methyloxirane?
The IUPAC name of 1,1'-biphenyl;2-chloro-3-methyloxirane (CID 174592188) is 1,1'-biphenyl;2-chloro-3-methyloxirane.
What is the SMILES notation for 1,1'-biphenyl;2-chloro-3-methyloxirane?
The canonical SMILES for 1,1'-biphenyl;2-chloro-3-methyloxirane is CC1OC1Cl.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2-chloro-3-methyloxirane?
The InChIKey is IYJQXJAOTNWCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C3H5ClO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3(4)5-2/h1-10H;2-3H,1H3.
What are the key properties of 1,1'-biphenyl;2-chloro-3-methyloxirane?
1,1'-biphenyl;2-chloro-3-methyloxirane has a molecular weight of 246.74 g/mol, XLogP of 4.32, 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-chloro-3-methyloxirane is sourced from PubChem (CID 174592188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).