2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane

C18H16Cl2O3 — CID 19964404

IUPAC2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane
SMILESClc1ccc(C2OC2COCC2OC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16Cl2O3/c19-13-5-1-11(2-6-13)17-15(22-17)9-21-10-16-18(23-16)12-3-7-14(20)8-4-12/h1-8,15-18H,9-10H2
InChIKeyWPUNBCKVQVACJB-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.59
Rot. Bonds6

About 2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane

2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane (PubChem CID 19964404) has the molecular formula C18H16Cl2O3 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane
PubChem CID19964404
Molecular FormulaC18H16Cl2O3
Molecular Weight351.23 g/mol
Exact Mass350.05
IUPAC Name2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane
SMILESClc1ccc(C2OC2COCC2OC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16Cl2O3/c19-13-5-1-11(2-6-13)17-15(22-17)9-21-10-16-18(23-16)12-3-7-14(20)8-4-12/h1-8,15-18H,9-10H2
InChIKeyWPUNBCKVQVACJB-UHFFFAOYSA-N
XLogP4.59
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane?
The IUPAC name of 2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane (CID 19964404) is 2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane?
The canonical SMILES for 2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane is Clc1ccc(C2OC2COCC2OC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane?
The InChIKey is WPUNBCKVQVACJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O3/c19-13-5-1-11(2-6-13)17-15(22-17)9-21-10-16-18(23-16)12-3-7-14(20)8-4-12/h1-8,15-18H,9-10H2.
What are the key properties of 2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane?
2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane has a molecular weight of 351.23 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)oxiran-2-yl]methoxymethyl]oxirane is sourced from PubChem (CID 19964404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).