4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene

C18H17NO3 — CID 54758179

IUPAC4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene
SMILESC=CCOc1ccc(-c2cccc([N+](=O)[O-])c2)cc1CC=C
InChIInChI=1S/C18H17NO3/c1-3-6-16-12-15(9-10-18(16)22-11-4-2)14-7-5-8-17(13-14)19(20)21/h3-5,7-10,12-13H,1-2,6,11H2
InChIKeyOXTUDQSIGPLFKU-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.56
Rot. Bonds7

About 4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene

4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene (PubChem CID 54758179) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene
PubChem CID54758179
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene
SMILESC=CCOc1ccc(-c2cccc([N+](=O)[O-])c2)cc1CC=C
InChIInChI=1S/C18H17NO3/c1-3-6-16-12-15(9-10-18(16)22-11-4-2)14-7-5-8-17(13-14)19(20)21/h3-5,7-10,12-13H,1-2,6,11H2
InChIKeyOXTUDQSIGPLFKU-UHFFFAOYSA-N
XLogP4.56
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.56
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 4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene 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

p-Nitrophenyl o-tolyl ether
CID 17123
p-(Benzyloxy)nitrobenzene
CID 70842
4-Nitrobenzyl phenyl ether
CID 99674
trans-4'-Methoxy-4-nitrostilbene
CID 745105
2-Methoxy-1,3-dimethyl-5-nitrobenzene
CID 139835
{4-[(3-Nitrobenzyl)oxy]phenyl}methanol
CID 894319
2-[4-(4-Nitrobenzyloxy)phenyl]ethylamine
CID 11579920
5-Nitro-2-phenoxybenzonitrile
CID 514846
1-[(1E)-2-(4-nitrophenyl)vinyl]-4-ethoxybenzene
CID 6050842
Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)-
CID 177573
Benzyl 2-nitrophenyl ether
CID 736266
Benzyl 3-nitrophenyl ether
CID 141099

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene?
The IUPAC name of 4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene (CID 54758179) is 4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene?
The canonical SMILES for 4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene is C=CCOc1ccc(-c2cccc([N+](=O)[O-])c2)cc1CC=C.
What is the InChIKey of 4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene?
The InChIKey is OXTUDQSIGPLFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-3-6-16-12-15(9-10-18(16)22-11-4-2)14-7-5-8-17(13-14)19(20)21/h3-5,7-10,12-13H,1-2,6,11H2.
What are the key properties of 4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene?
4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene has a molecular weight of 295.34 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrophenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 54758179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).