1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene

C22H19NO4 — CID 11792933

IUPAC1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
SMILESO=[N+]([O-])/C=C/c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C22H19NO4/c24-23(25)12-11-20-13-21(26-16-18-7-3-1-4-8-18)15-22(14-20)27-17-19-9-5-2-6-10-19/h1-15H,16-17H2/b12-11+
InChIKeyVLKZULIHYKJZTG-VAWYXSNFSA-N
MW361.40 g/mol
LogP5.09
Rot. Bonds8

About 1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene

1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene (PubChem CID 11792933) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene.

Molecular Properties

Compound Name1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
PubChem CID11792933
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
SMILESO=[N+]([O-])/C=C/c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C22H19NO4/c24-23(25)12-11-20-13-21(26-16-18-7-3-1-4-8-18)15-22(14-20)27-17-19-9-5-2-6-10-19/h1-15H,16-17H2/b12-11+
InChIKeyVLKZULIHYKJZTG-VAWYXSNFSA-N
XLogP5.09
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.09
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

5-(2-nitroethenyl)-2-phenylmethoxypyridine
CID 66707987
1-nitro-2-[(E)-2-nitro(213C)ethenyl]-4-phenylmethoxybenzene
CID 169444921
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
1-methyl-3-[[4-[(E)-2-nitroethenyl]phenoxy]methyl]benzene
CID 974554
1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 23972782
2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene
CID 72671041
3-(2-nitroethenyl)-6-phenylmethoxy-1H-indole
CID 67443454
1-(3-methoxypropoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730354
[(E)-2-nitroethenyl]benzene
CID 5284459
2-nitroethenylbenzene
CID 7626
1-(2-nitroethenyl)-3-phenoxybenzene
CID 2732974
1-(2-ethoxyethoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730339

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene?
The IUPAC name of 1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene (CID 11792933) is 1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene.
What is the SMILES notation for 1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene?
The canonical SMILES for 1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene is O=[N+]([O-])/C=C/c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1.
What is the InChIKey of 1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene?
The InChIKey is VLKZULIHYKJZTG-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H19NO4/c24-23(25)12-11-20-13-21(26-16-18-7-3-1-4-8-18)15-22(14-20)27-17-19-9-5-2-6-10-19/h1-15H,16-17H2/b12-11+.
What are the key properties of 1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene?
1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene has a molecular weight of 361.40 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene is sourced from PubChem (CID 11792933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).