4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol

C16H22N2O — CID 91704326

IUPAC4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C(O)(/N=N/c3ccccc3)C1)C2(C)C
InChIInChI=1S/C16H22N2O/c1-14(2)13-9-10-15(14,3)11-16(13,19)18-17-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3/b18-17+
InChIKeyNUIAQFUHVHMPMB-ISLYRVAYSA-N
MW258.36 g/mol
LogP4.31
Rot. Bonds2

About 4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol

4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol (PubChem CID 91704326) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol
PubChem CID91704326
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C(O)(/N=N/c3ccccc3)C1)C2(C)C
InChIInChI=1S/C16H22N2O/c1-14(2)13-9-10-15(14,3)11-16(13,19)18-17-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3/b18-17+
InChIKeyNUIAQFUHVHMPMB-ISLYRVAYSA-N
XLogP4.31
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol 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

2-Anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 140987754

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol (CID 91704326) is 4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol is CC12CCC(C(O)(/N=N/c3ccccc3)C1)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is NUIAQFUHVHMPMB-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-14(2)13-9-10-15(14,3)11-16(13,19)18-17-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3/b18-17+.
What are the key properties of 4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol?
4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 258.36 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-2-phenyldiazenylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 91704326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).