2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane

C15H11Cl2NO5 — CID 71387086

IUPAC2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1OCC1CO1
InChIInChI=1S/C15H11Cl2NO5/c16-9-1-4-14(12(17)5-9)23-10-2-3-13(18(19)20)15(6-10)22-8-11-7-21-11/h1-6,11H,7-8H2
InChIKeyPZDTYCCHMJADDQ-UHFFFAOYSA-N
MW356.16 g/mol
LogP4.47
Rot. Bonds6

About 2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane

2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane (PubChem CID 71387086) has the molecular formula C15H11Cl2NO5 and a molecular weight of 356.16 g/mol. Its IUPAC name is 2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane
PubChem CID71387086
Molecular FormulaC15H11Cl2NO5
Molecular Weight356.16 g/mol
Exact Mass355.00
IUPAC Name2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1OCC1CO1
InChIInChI=1S/C15H11Cl2NO5/c16-9-1-4-14(12(17)5-9)23-10-2-3-13(18(19)20)15(6-10)22-8-11-7-21-11/h1-6,11H,7-8H2
InChIKeyPZDTYCCHMJADDQ-UHFFFAOYSA-N
XLogP4.47
TPSA74.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane
CID 124680795
N-chloro-5-(2,4-dichlorophenoxy)-2-nitroaniline
CID 174878979
2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene
CID 71395855
ethyl 2-[4-[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]phenoxy]acetate
CID 57105797
5-(2,4-dichlorophenoxy)-N,N-dimethyl-2-nitroaniline
CID 13194931
2-[2-nitro-5-(oxiran-2-ylmethoxy)phenyl]-1,3-dioxolane
CID 10264953
2-[(4-bromo-2-nitrophenoxy)methyl]oxirane
CID 65430510
5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
CID 10703784
2-[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]-N-(2-methoxyethyl)propanamide
CID 70560532
4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene
CID 134107424
1-chloro-2,3-bis(2,4-dichlorophenoxy)-4-nitrobenzene
CID 12569011
2-[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]-3-sulfanylidenepropanamide
CID 88666214

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane?
The IUPAC name of 2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane (CID 71387086) is 2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane?
The canonical SMILES for 2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane is O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1OCC1CO1.
What is the InChIKey of 2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane?
The InChIKey is PZDTYCCHMJADDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO5/c16-9-1-4-14(12(17)5-9)23-10-2-3-13(18(19)20)15(6-10)22-8-11-7-21-11/h1-6,11H,7-8H2.
What are the key properties of 2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane?
2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane has a molecular weight of 356.16 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane is sourced from PubChem (CID 71387086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).