4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene

C22H18NO4- — CID 134086728

IUPAC4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene
SMILESO=[N+]([O-])/[C-]=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C22H18NO4/c24-23(25)14-13-18-11-12-21(26-16-19-7-3-1-4-8-19)22(15-18)27-17-20-9-5-2-6-10-20/h1-13,15H,16-17H2/q-1
InChIKeyJGEUBZMYKDSAHH-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.90
Rot. Bonds8

About 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene

4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene (PubChem CID 134086728) has the molecular formula C22H18NO4- and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene.

Molecular Properties

Compound Name4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene
PubChem CID134086728
Molecular FormulaC22H18NO4-
Molecular Weight360.39 g/mol
Exact Mass360.12
IUPAC Name4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene
SMILESO=[N+]([O-])/[C-]=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C22H18NO4/c24-23(25)14-13-18-11-12-21(26-16-19-7-3-1-4-8-19)22(15-18)27-17-20-9-5-2-6-10-20/h1-13,15H,16-17H2/q-1
InChIKeyJGEUBZMYKDSAHH-UHFFFAOYSA-N
XLogP4.90
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene 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

1-(3-methoxypropoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730354
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-nitroaniline
CID 6186932
1-(2-ethoxyethoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730339
3,4-bis[(4-nitrophenyl)methoxy]benzaldehyde
CID 50885590
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
(Z)-3-(3-nitro-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 82152609
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
(1R)-1-[3,4-bis(phenylmethoxy)phenyl]-2-nitroethanol
CID 15313691
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene?
The IUPAC name of 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene (CID 134086728) is 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene.
What is the SMILES notation for 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene?
The canonical SMILES for 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene is O=[N+]([O-])/[C-]=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene?
The InChIKey is JGEUBZMYKDSAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18NO4/c24-23(25)14-13-18-11-12-21(26-16-19-7-3-1-4-8-19)22(15-18)27-17-20-9-5-2-6-10-20/h1-13,15H,16-17H2/q-1.
What are the key properties of 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene?
4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene has a molecular weight of 360.39 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitroethenyl)-1,2-bis(phenylmethoxy)benzene is sourced from PubChem (CID 134086728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).