1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene

C11H13NO3 — CID 77098903

IUPAC1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene
SMILESCOCc1ccc(C=C(C)[N+](=O)[O-])cc1
InChIInChI=1S/C11H13NO3/c1-9(12(13)14)7-10-3-5-11(6-4-10)8-15-2/h3-7H,8H2,1-2H3
InChIKeyOWRFHIHDSTWLFG-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.47
Rot. Bonds4

About 1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene

1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene (PubChem CID 77098903) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene.

Molecular Properties

Compound Name1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene
PubChem CID77098903
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene
SMILESCOCc1ccc(C=C(C)[N+](=O)[O-])cc1
InChIInChI=1S/C11H13NO3/c1-9(12(13)14)7-10-3-5-11(6-4-10)8-15-2/h3-7H,8H2,1-2H3
InChIKeyOWRFHIHDSTWLFG-UHFFFAOYSA-N
XLogP2.47
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene 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

4-[(Z)-2-nitroprop-1-enyl]phenol
CID 5371883
1-(methoxymethyl)-4-(2-nitroethenyl)benzene
CID 77098902
2-nitroprop-1-enylbenzene
CID 12807
2-[4-(2-nitroprop-1-enyl)phenyl]sulfanylethanol
CID 70529156
2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid
CID 175687235
2-(2-methoxyethoxy)-5-[(E)-2-nitroprop-1-enyl]pyridine
CID 15067099
N-[4-(2-nitroprop-1-enyl)phenyl]acetamide
CID 583179
(Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol
CID 103091036
[4-[(E)-2-nitroprop-1-enyl]phenyl] ethaneperoxoate
CID 23199922
1-(2-nitroprop-1-enyl)-4-(trifluoromethoxy)benzene
CID 53396123
1-[(E)-2-nitroprop-1-enyl]-4-pentoxybenzene
CID 94776304
1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene
CID 24721025

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene?
The IUPAC name of 1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene (CID 77098903) is 1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene.
What is the SMILES notation for 1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene?
The canonical SMILES for 1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene is COCc1ccc(C=C(C)[N+](=O)[O-])cc1.
What is the InChIKey of 1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene?
The InChIKey is OWRFHIHDSTWLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-9(12(13)14)7-10-3-5-11(6-4-10)8-15-2/h3-7H,8H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene?
1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene has a molecular weight of 207.23 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 1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene is sourced from PubChem (CID 77098903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).