2-[bis(4-chlorophenyl)methoxymethyl]oxirane

C16H14Cl2O2 — CID 43810597

IUPAC2-[bis(4-chlorophenyl)methoxymethyl]oxirane
SMILESClc1ccc(C(OCC2CO2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14Cl2O2/c17-13-5-1-11(2-6-13)16(20-10-15-9-19-15)12-3-7-14(18)8-4-12/h1-8,15-16H,9-10H2
InChIKeyGKWPFUSVMXXVND-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.50
Rot. Bonds5

About 2-[bis(4-chlorophenyl)methoxymethyl]oxirane

2-[bis(4-chlorophenyl)methoxymethyl]oxirane (PubChem CID 43810597) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methoxymethyl]oxirane
PubChem CID43810597
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name2-[bis(4-chlorophenyl)methoxymethyl]oxirane
SMILESClc1ccc(C(OCC2CO2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14Cl2O2/c17-13-5-1-11(2-6-13)16(20-10-15-9-19-15)12-3-7-14(18)8-4-12/h1-8,15-16H,9-10H2
InChIKeyGKWPFUSVMXXVND-UHFFFAOYSA-N
XLogP4.50
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[bis(4-chlorophenyl)methoxymethyl]oxirane?
The IUPAC name of 2-[bis(4-chlorophenyl)methoxymethyl]oxirane (CID 43810597) is 2-[bis(4-chlorophenyl)methoxymethyl]oxirane.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methoxymethyl]oxirane?
The canonical SMILES for 2-[bis(4-chlorophenyl)methoxymethyl]oxirane is Clc1ccc(C(OCC2CO2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methoxymethyl]oxirane?
The InChIKey is GKWPFUSVMXXVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-13-5-1-11(2-6-13)16(20-10-15-9-19-15)12-3-7-14(18)8-4-12/h1-8,15-16H,9-10H2.
What are the key properties of 2-[bis(4-chlorophenyl)methoxymethyl]oxirane?
2-[bis(4-chlorophenyl)methoxymethyl]oxirane has a molecular weight of 309.19 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)methoxymethyl]oxirane is sourced from PubChem (CID 43810597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).