1-nitroso-4-[(4-nitrosophenyl)methyl]benzene

C13H10N2O2 — CID 20588651

IUPAC1-nitroso-4-[(4-nitrosophenyl)methyl]benzene
SMILESO=Nc1ccc(Cc2ccc(N=O)cc2)cc1
InChIInChI=1S/C13H10N2O2/c16-14-12-5-1-10(2-6-12)9-11-3-7-13(15-17)8-4-11/h1-8H,9H2
InChIKeySQDVCRDQVNFZJV-UHFFFAOYSA-N
MW226.24 g/mol
LogP4.07
Rot. Bonds4

About 1-nitroso-4-[(4-nitrosophenyl)methyl]benzene

1-nitroso-4-[(4-nitrosophenyl)methyl]benzene (PubChem CID 20588651) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-nitroso-4-[(4-nitrosophenyl)methyl]benzene.

Molecular Properties

Compound Name1-nitroso-4-[(4-nitrosophenyl)methyl]benzene
PubChem CID20588651
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name1-nitroso-4-[(4-nitrosophenyl)methyl]benzene
SMILESO=Nc1ccc(Cc2ccc(N=O)cc2)cc1
InChIInChI=1S/C13H10N2O2/c16-14-12-5-1-10(2-6-12)9-11-3-7-13(15-17)8-4-11/h1-8H,9H2
InChIKeySQDVCRDQVNFZJV-UHFFFAOYSA-N
XLogP4.07
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-nitroso-4-[(4-nitrosophenyl)methyl]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

3-[(4-nitrosophenyl)methyl]-1H-indole
CID 139526276
(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid
CID 87160130
N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine
CID 90443817
1-(aminodiazenyl)-4-[[4-(aminodiazenyl)phenyl]methyl]benzene
CID 118629334
1-iodo-4-nitrosobenzene
CID 643580
4-[(4-nitrosophenyl)methoxy]benzaldehyde
CID 88889564
2-[(4-nitrosophenyl)methylamino]acetonitrile
CID 140533237
sodium 4-nitrosophenolate
CID 23677962
3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol
CID 91542260
O-[4-[(4-isocyanatophenyl)methyl]phenyl]hydroxylamine
CID 89253250
1-[(4-nitrosophenyl)methyl]triazole
CID 129064924
1-(2-azidopropyl)-4-nitrosobenzene
CID 173493901

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-4-[(4-nitrosophenyl)methyl]benzene?
The IUPAC name of 1-nitroso-4-[(4-nitrosophenyl)methyl]benzene (CID 20588651) is 1-nitroso-4-[(4-nitrosophenyl)methyl]benzene.
What is the SMILES notation for 1-nitroso-4-[(4-nitrosophenyl)methyl]benzene?
The canonical SMILES for 1-nitroso-4-[(4-nitrosophenyl)methyl]benzene is O=Nc1ccc(Cc2ccc(N=O)cc2)cc1.
What is the InChIKey of 1-nitroso-4-[(4-nitrosophenyl)methyl]benzene?
The InChIKey is SQDVCRDQVNFZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-14-12-5-1-10(2-6-12)9-11-3-7-13(15-17)8-4-11/h1-8H,9H2.
What are the key properties of 1-nitroso-4-[(4-nitrosophenyl)methyl]benzene?
1-nitroso-4-[(4-nitrosophenyl)methyl]benzene has a molecular weight of 226.24 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-4-[(4-nitrosophenyl)methyl]benzene is sourced from PubChem (CID 20588651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).