1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene

C16H15NO4 — CID 135076100

IUPAC1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene
SMILESCOc1cccc(C(=C[N+](=O)[O-])c2cccc(OC)c2)c1
InChIInChI=1S/C16H15NO4/c1-20-14-7-3-5-12(9-14)16(11-17(18)19)13-6-4-8-15(10-13)21-2/h3-11H,1-2H3
InChIKeyUVSCYKHVICIQIH-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.37
Rot. Bonds5

About 1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene

1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene (PubChem CID 135076100) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene
PubChem CID135076100
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene
SMILESCOc1cccc(C(=C[N+](=O)[O-])c2cccc(OC)c2)c1
InChIInChI=1S/C16H15NO4/c1-20-14-7-3-5-12(9-14)16(11-17(18)19)13-6-4-8-15(10-13)21-2/h3-11H,1-2H3
InChIKeyUVSCYKHVICIQIH-UHFFFAOYSA-N
XLogP3.37
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.37
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'}

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Related Compounds

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CID 14347314
1-methoxy-3-nitrobenzene;molecular nitrogen;hydrochloride
CID 173306835
1,3-dinitrobenzene;3-methoxyphenol
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CID 898904
1-(3-methoxyphenyl)ethylideneazanium
CID 135086476
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
(E)-1-(3-methoxyphenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
CID 6526896
2-hydroxy-1-(3-methoxyphenyl)ethanone
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[(Z)-1-methoxy-2-nitroethenyl]benzene
CID 134895060

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene?
The IUPAC name of 1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene (CID 135076100) is 1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene?
The canonical SMILES for 1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene is COc1cccc(C(=C[N+](=O)[O-])c2cccc(OC)c2)c1.
What is the InChIKey of 1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene?
The InChIKey is UVSCYKHVICIQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-14-7-3-5-12(9-14)16(11-17(18)19)13-6-4-8-15(10-13)21-2/h3-11H,1-2H3.
What are the key properties of 1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene?
1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene has a molecular weight of 285.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene is sourced from PubChem (CID 135076100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).