1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene

C15H13NO3 — CID 5368282

IUPAC1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene
SMILESO=[N+]([O-])/C=C/c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H13NO3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-11H,12H2/b10-9+
InChIKeyXFBMDILDMJAPDU-MDZDMXLPSA-N
MW255.27 g/mol
LogP3.51
Rot. Bonds5

About 1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene

1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene (PubChem CID 5368282) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene
PubChem CID5368282
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene
SMILESO=[N+]([O-])/C=C/c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H13NO3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-11H,12H2/b10-9+
InChIKeyXFBMDILDMJAPDU-MDZDMXLPSA-N
XLogP3.51
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene?
The IUPAC name of 1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene (CID 5368282) is 1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene.
What is the SMILES notation for 1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene?
The canonical SMILES for 1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene is O=[N+]([O-])/C=C/c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene?
The InChIKey is XFBMDILDMJAPDU-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H13NO3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-11H,12H2/b10-9+.
What are the key properties of 1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene?
1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene has a molecular weight of 255.27 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene is sourced from PubChem (CID 5368282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).