2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane

C10H9Cl2NO4 — CID 107499464

IUPAC2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane
SMILESCC1(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CO1
InChIInChI=1S/C10H9Cl2NO4/c1-10(5-17-10)4-16-9-3-7(12)6(11)2-8(9)13(14)15/h2-3H,4-5H2,1H3
InChIKeyRWIVYYIEJDNPMX-UHFFFAOYSA-N
MW278.09 g/mol
LogP3.07
Rot. Bonds4

About 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane

2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane (PubChem CID 107499464) has the molecular formula C10H9Cl2NO4 and a molecular weight of 278.09 g/mol. Its IUPAC name is 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane
PubChem CID107499464
Molecular FormulaC10H9Cl2NO4
Molecular Weight278.09 g/mol
Exact Mass276.99
IUPAC Name2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane
SMILESCC1(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CO1
InChIInChI=1S/C10H9Cl2NO4/c1-10(5-17-10)4-16-9-3-7(12)6(11)2-8(9)13(14)15/h2-3H,4-5H2,1H3
InChIKeyRWIVYYIEJDNPMX-UHFFFAOYSA-N
XLogP3.07
TPSA64.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-[(2-methyloxiran-2-yl)methoxy]-4-nitrophenol
CID 24758510
2-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-methyloxirane
CID 66335978
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4,5-dichloro-2-nitrobenzene
CID 107499504
(2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane
CID 124680795
2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane
CID 66335072
3-(4,5-dichloro-2-nitrophenoxy)propanal
CID 107500535
2-(4,5-dichloro-2-nitrophenoxy)ethanesulfonyl chloride
CID 107501717
2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine
CID 102634870
2-[2-(4,5-dichloro-2-nitrophenoxy)ethoxy]ethanethiol
CID 107501777
2-[3-(4,5-dichloro-2-nitrophenoxy)azetidin-3-yl]acetic acid
CID 107499259
4-(4,5-dichloro-2-nitrophenoxy)butane-1-sulfonyl chloride
CID 107501718
5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide
CID 107501706

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane?
The IUPAC name of 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane (CID 107499464) is 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane.
What is the SMILES notation for 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane?
The canonical SMILES for 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane is CC1(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CO1.
What is the InChIKey of 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane?
The InChIKey is RWIVYYIEJDNPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4/c1-10(5-17-10)4-16-9-3-7(12)6(11)2-8(9)13(14)15/h2-3H,4-5H2,1H3.
What are the key properties of 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane?
2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane has a molecular weight of 278.09 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane is sourced from PubChem (CID 107499464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).