1-nitroso-4-phenylbenzene

C12H9NO — CID 24971

IUPAC1-nitroso-4-phenylbenzene
SMILESO=Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyLLRWRZXFCFYZCL-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.75
Rot. Bonds2

About 1-nitroso-4-phenylbenzene

1-nitroso-4-phenylbenzene (PubChem CID 24971) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-nitroso-4-phenylbenzene.

Molecular Properties

Compound Name1-nitroso-4-phenylbenzene
PubChem CID24971
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name1-nitroso-4-phenylbenzene
SMILESO=Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyLLRWRZXFCFYZCL-UHFFFAOYSA-N
XLogP3.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-nitroso-4-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-4-phenylbenzene?
The IUPAC name of 1-nitroso-4-phenylbenzene (CID 24971) is 1-nitroso-4-phenylbenzene.
What is the SMILES notation for 1-nitroso-4-phenylbenzene?
The canonical SMILES for 1-nitroso-4-phenylbenzene is O=Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-nitroso-4-phenylbenzene?
The InChIKey is LLRWRZXFCFYZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-nitroso-4-phenylbenzene?
1-nitroso-4-phenylbenzene has a molecular weight of 183.21 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-4-phenylbenzene is sourced from PubChem (CID 24971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).