2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane

C18H14Cl4O3 — CID 139864485

IUPAC2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
SMILESClc1cccc([C@H](O[C@@H](c2cccc(Cl)c2Cl)C2CO2)C2CO2)c1Cl
InChIInChI=1S/C18H14Cl4O3/c19-11-5-1-3-9(15(11)21)17(13-7-23-13)25-18(14-8-24-14)10-4-2-6-12(20)16(10)22/h1-6,13-14,17-18H,7-8H2/t13?,14?,17-,18-/m0/s1
InChIKeyZHMYQXRMAFKPNP-GNNGFNCTSA-N
MW420.12 g/mol
LogP5.90
Rot. Bonds6

About 2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane

2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane (PubChem CID 139864485) has the molecular formula C18H14Cl4O3 and a molecular weight of 420.12 g/mol. Its IUPAC name is 2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
PubChem CID139864485
Molecular FormulaC18H14Cl4O3
Molecular Weight420.12 g/mol
Exact Mass417.97
IUPAC Name2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
SMILESClc1cccc([C@H](O[C@@H](c2cccc(Cl)c2Cl)C2CO2)C2CO2)c1Cl
InChIInChI=1S/C18H14Cl4O3/c19-11-5-1-3-9(15(11)21)17(13-7-23-13)25-18(14-8-24-14)10-4-2-6-12(20)16(10)22/h1-6,13-14,17-18H,7-8H2/t13?,14?,17-,18-/m0/s1
InChIKeyZHMYQXRMAFKPNP-GNNGFNCTSA-N
XLogP5.90
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.12
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Bis(2-chlorophenyl)oxirane
CID 300919
2-(((2-Chlorophenyl)methoxy)methyl)oxirane
CID 4387168
2-(2,3-Dichlorophenyl)oxirane
CID 18672511
2,3-Dichlorobenzyl alcohol, isopropyl ether
CID 91723379
2-{[Bis(4-chlorophenyl)methoxy]methyl}oxirane
CID 43810597
1,2-Dichloro-4-[(3,4-dichlorophenyl)methoxymethyl]benzene
CID 228610
2-(3-Chlorophenyl)-3-phenyl oxirane
CID 12346449
p-Chlorophenyl-2,3-epoxypropylether
CID 19964404
2-(2-Chlorophenyl)-3-phenyloxirane
CID 73032947
2-(2,3-Dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane
CID 121281189
2,3-Dichlorobenzyl alcohol, 1-methylpropyl ether
CID 91723376
(2R,3S)-2,3-bis(2-chlorophenyl)oxirane
CID 677476

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The IUPAC name of 2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane (CID 139864485) is 2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane.
What is the SMILES notation for 2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The canonical SMILES for 2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane is Clc1cccc([C@H](O[C@@H](c2cccc(Cl)c2Cl)C2CO2)C2CO2)c1Cl.
What is the InChIKey of 2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The InChIKey is ZHMYQXRMAFKPNP-GNNGFNCTSA-N. The full InChI is InChI=1S/C18H14Cl4O3/c19-11-5-1-3-9(15(11)21)17(13-7-23-13)25-18(14-8-24-14)10-4-2-6-12(20)16(10)22/h1-6,13-14,17-18H,7-8H2/t13?,14?,17-,18-/m0/s1.
What are the key properties of 2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane has a molecular weight of 420.12 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2,3-dichlorophenyl)-[(S)-(2,3-dichlorophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane is sourced from PubChem (CID 139864485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).