2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene

C12H15NO4 — CID 5375208

IUPAC2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
SMILESCCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC
InChIInChI=1S/C12H15NO4/c1-4-17-12-8-10(5-6-11(12)16-3)7-9(2)13(14)15/h5-8H,4H2,1-3H3/b9-7-
InChIKeyDVSMEGUDOSUTAR-CLFYSBASSA-N
MW237.25 g/mol
LogP2.73
Rot. Bonds5

About 2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene

2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene (PubChem CID 5375208) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene.

Molecular Properties

Compound Name2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
PubChem CID5375208
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
SMILESCCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC
InChIInChI=1S/C12H15NO4/c1-4-17-12-8-10(5-6-11(12)16-3)7-9(2)13(14)15/h5-8H,4H2,1-3H3/b9-7-
InChIKeyDVSMEGUDOSUTAR-CLFYSBASSA-N
XLogP2.73
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.73
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'}

Analyze 2-ethoxy-1-methoxy-4-[(Z)-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

[2-methoxy-4-(2-nitroprop-1-enyl)phenyl] acetate
CID 4223737
2-methoxy-4-[(Z)-2-nitroprop-1-enyl]-1-propan-2-yloxybenzene
CID 55016683
3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335593
1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 12005127
1-methoxy-4-[(Z)-3-methyl-2-nitrobut-1-enyl]-2-propoxybenzene
CID 115347776
2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 9031864
2-ethoxy-5-[(E)-2-nitroprop-1-enyl]pyridine
CID 15067101
(Z)-6-(3,4-dimethoxyphenyl)-5-nitrohex-5-en-2-one
CID 101395050
(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092940
4-ethenyl-2-ethoxy-1-methoxybenzene
CID 11665489
3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79341431
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene?
The IUPAC name of 2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene (CID 5375208) is 2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene.
What is the SMILES notation for 2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene?
The canonical SMILES for 2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene is CCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene?
The InChIKey is DVSMEGUDOSUTAR-CLFYSBASSA-N. The full InChI is InChI=1S/C12H15NO4/c1-4-17-12-8-10(5-6-11(12)16-3)7-9(2)13(14)15/h5-8H,4H2,1-3H3/b9-7-.
What are the key properties of 2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene?
2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene has a molecular weight of 237.25 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene is sourced from PubChem (CID 5375208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).