2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene

C10H10ClNO3 — CID 78977095

IUPAC2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene
SMILESC=C(C)COc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C10H10ClNO3/c1-7(2)6-15-8-3-4-10(12(13)14)9(11)5-8/h3-5H,1,6H2,2H3
InChIKeyARZUXGKCMUIMQK-UHFFFAOYSA-N
MW227.65 g/mol
LogP3.20
Rot. Bonds4

About 2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene

2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene (PubChem CID 78977095) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene.

Molecular Properties

Compound Name2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene
PubChem CID78977095
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene
SMILESC=C(C)COc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C10H10ClNO3/c1-7(2)6-15-8-3-4-10(12(13)14)9(11)5-8/h3-5H,1,6H2,2H3
InChIKeyARZUXGKCMUIMQK-UHFFFAOYSA-N
XLogP3.20
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-4-nitrophenoxy)-3-methylbut-2-enoic acid
CID 76974995
4-(3-chloro-4-nitrophenoxy)butan-2-one
CID 62111779
2-(difluoromethyl)-4-(2-methylprop-2-enoxy)-1-nitrobenzene
CID 129283983
2-(3-chloro-4-nitrophenoxy)-1-cyclopropylethanone
CID 63904601
2-(3-chloro-4-nitrophenoxy)-1-phenylethanone
CID 47443115
1-(3-chloro-4-nitrophenoxy)-2-methylbutan-2-ol
CID 114496058
2-(3-chloro-4-nitrophenoxy)-1-cyclohexylethanone
CID 115595147
2-chloro-1-nitro-4-pent-4-enoxybenzene
CID 78992954
4-chloro-2-(2-methylprop-2-enoxy)-5-nitrobenzamide
CID 156695367
2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide
CID 47443106
4-chloro-1-(2-methylprop-2-enoxy)-2-nitrobenzene
CID 46850457
2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide
CID 78977054

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene?
The IUPAC name of 2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene (CID 78977095) is 2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene.
What is the SMILES notation for 2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene?
The canonical SMILES for 2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene is C=C(C)COc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene?
The InChIKey is ARZUXGKCMUIMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-7(2)6-15-8-3-4-10(12(13)14)9(11)5-8/h3-5H,1,6H2,2H3.
What are the key properties of 2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene?
2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene has a molecular weight of 227.65 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene is sourced from PubChem (CID 78977095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).