1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene

C15H13NO3 — CID 12634354

IUPAC1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene
SMILESCOc1ccc(/C(=C/[N+](=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c1-19-14-9-7-13(8-10-14)15(11-16(17)18)12-5-3-2-4-6-12/h2-11H,1H3/b15-11+
InChIKeyVFJKGNYOBVLTOS-RVDMUPIBSA-N
MW255.27 g/mol
LogP3.36
Rot. Bonds4

About 1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene

1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene (PubChem CID 12634354) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene
PubChem CID12634354
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene
SMILESCOc1ccc(/C(=C/[N+](=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c1-19-14-9-7-13(8-10-14)15(11-16(17)18)12-5-3-2-4-6-12/h2-11H,1H3/b15-11+
InChIKeyVFJKGNYOBVLTOS-RVDMUPIBSA-N
XLogP3.36
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.36
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'}

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Related Compounds

1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene
CID 135076100
1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 134890505
1-methoxy-4-[(Z)-1-nitrobut-1-en-2-yl]benzene
CID 146168276
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
[(Z)-1-methoxy-2-nitroethenyl]benzene
CID 134895060
1-methoxy-4-[phenyl(sulfonyl)methyl]benzene
CID 134894682
1-(4-methoxyphenyl)-4-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]benzene
CID 12052590
3-(4-methoxyphenyl)-2-nitro-1-phenylprop-2-en-1-one
CID 85439668
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 54355919
anisole;2-nitroprop-1-ene
CID 174270920

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene (CID 12634354) is 1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene is COc1ccc(/C(=C/[N+](=O)[O-])c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene?
The InChIKey is VFJKGNYOBVLTOS-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-14-9-7-13(8-10-14)15(11-16(17)18)12-5-3-2-4-6-12/h2-11H,1H3/b15-11+.
What are the key properties of 1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene?
1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene has a molecular weight of 255.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene is sourced from PubChem (CID 12634354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).