2-methyl-1-nitro-4-prop-2-enoxybenzene

C10H11NO3 — CID 14239229

IUPAC2-methyl-1-nitro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C10H11NO3/c1-3-6-14-9-4-5-10(11(12)13)8(2)7-9/h3-5,7H,1,6H2,2H3
InChIKeyDGLFFFUDCZTPCT-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.47
Rot. Bonds4

About 2-methyl-1-nitro-4-prop-2-enoxybenzene

2-methyl-1-nitro-4-prop-2-enoxybenzene (PubChem CID 14239229) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-methyl-1-nitro-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name2-methyl-1-nitro-4-prop-2-enoxybenzene
PubChem CID14239229
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-methyl-1-nitro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C10H11NO3/c1-3-6-14-9-4-5-10(11(12)13)8(2)7-9/h3-5,7H,1,6H2,2H3
InChIKeyDGLFFFUDCZTPCT-UHFFFAOYSA-N
XLogP2.47
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.47
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'}

Analyze 2-methyl-1-nitro-4-prop-2-enoxybenzene 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

1-methyl-2-nitro-4-prop-2-enoxybenzene
CID 66739699
1-nitro-2,4-bis(prop-2-enoxy)benzene
CID 46210791
N-methyl-2-nitro-5-prop-2-enoxyaniline
CID 67485059
2-ethyl-4-(3-methyl-4-nitrophenoxy)but-2-enoic acid
CID 77100508
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
ethane;4-methoxy-1-nitro-2-prop-2-enoxybenzene
CID 143133344
1-amino-2-(3-methyl-4-nitrophenoxy)ethanol
CID 69436741
4-(2,2-diethoxyethoxy)-2-methyl-1-nitrobenzene
CID 13416781
2-methyl-1-nitro-4-(2-phenylethoxy)benzene
CID 15295878
4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
CID 134116888
2-methyl-3-(3-methyl-4-nitrophenoxy)propanoic acid
CID 43537785
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-nitro-4-prop-2-enoxybenzene?
The IUPAC name of 2-methyl-1-nitro-4-prop-2-enoxybenzene (CID 14239229) is 2-methyl-1-nitro-4-prop-2-enoxybenzene.
What is the SMILES notation for 2-methyl-1-nitro-4-prop-2-enoxybenzene?
The canonical SMILES for 2-methyl-1-nitro-4-prop-2-enoxybenzene is C=CCOc1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of 2-methyl-1-nitro-4-prop-2-enoxybenzene?
The InChIKey is DGLFFFUDCZTPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-6-14-9-4-5-10(11(12)13)8(2)7-9/h3-5,7H,1,6H2,2H3.
What are the key properties of 2-methyl-1-nitro-4-prop-2-enoxybenzene?
2-methyl-1-nitro-4-prop-2-enoxybenzene has a molecular weight of 193.20 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-nitro-4-prop-2-enoxybenzene is sourced from PubChem (CID 14239229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).