2-(chloromethyl)-2-(4-phenylphenyl)oxirane

C15H13ClO — CID 10705499

IUPAC2-(chloromethyl)-2-(4-phenylphenyl)oxirane
SMILESClCC1(c2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C15H13ClO/c16-10-15(11-17-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyMTXHRYADBSXMJZ-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.82
Rot. Bonds3

About 2-(chloromethyl)-2-(4-phenylphenyl)oxirane

2-(chloromethyl)-2-(4-phenylphenyl)oxirane (PubChem CID 10705499) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(chloromethyl)-2-(4-phenylphenyl)oxirane.

Molecular Properties

Compound Name2-(chloromethyl)-2-(4-phenylphenyl)oxirane
PubChem CID10705499
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name2-(chloromethyl)-2-(4-phenylphenyl)oxirane
SMILESClCC1(c2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C15H13ClO/c16-10-15(11-17-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyMTXHRYADBSXMJZ-UHFFFAOYSA-N
XLogP3.82
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 53.82
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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Related Compounds

1,2-dichloroethane;1,4-diphenylbenzene
CID 174576673
[2-(4-chlorophenyl)oxiran-2-yl]methanol
CID 14329854
3-(4-phenylphenyl)oxetan-3-amine
CID 116872637
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
5-(chloromethyl)-5-methyl-3-phenyl-4H-1,2-oxazole
CID 12533400
(5S)-5-(chloromethyl)-5-phenyloxolan-2-one
CID 102486502
1-(chloromethyl)-4-phenylbenzene
CID 15463
[1-(4-phenylphenyl)cyclopropyl]methanamine
CID 82287223
4-(chloromethyl)-4-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxolane
CID 13069846
(2R)-2-(diphenylphosphorylmethyl)-2-phenyloxirane
CID 10711759
1-[(2-phenyloxiran-2-yl)methyl]pyrrole-2,5-dione
CID 122459540
(3,5-diphenyl-4H-1,2-oxazol-5-yl)methanol
CID 14688929

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-2-(4-phenylphenyl)oxirane?
The IUPAC name of 2-(chloromethyl)-2-(4-phenylphenyl)oxirane (CID 10705499) is 2-(chloromethyl)-2-(4-phenylphenyl)oxirane.
What is the SMILES notation for 2-(chloromethyl)-2-(4-phenylphenyl)oxirane?
The canonical SMILES for 2-(chloromethyl)-2-(4-phenylphenyl)oxirane is ClCC1(c2ccc(-c3ccccc3)cc2)CO1.
What is the InChIKey of 2-(chloromethyl)-2-(4-phenylphenyl)oxirane?
The InChIKey is MTXHRYADBSXMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c16-10-15(11-17-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 2-(chloromethyl)-2-(4-phenylphenyl)oxirane?
2-(chloromethyl)-2-(4-phenylphenyl)oxirane has a molecular weight of 244.72 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-(4-phenylphenyl)oxirane is sourced from PubChem (CID 10705499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).