1-(1-phenyldiazenylnaphthalen-2-yl)ethanol

C18H16N2O — CID 174970456

IUPAC1-(1-phenyldiazenylnaphthalen-2-yl)ethanol
SMILESCC(O)c1ccc2ccccc2c1/N=N/c1ccccc1
InChIInChI=1S/C18H16N2O/c1-13(21)16-12-11-14-7-5-6-10-17(14)18(16)20-19-15-8-3-2-4-9-15/h2-13,21H,1H3/b20-19+
InChIKeyATPTYSVFDCIPHM-FMQUCBEESA-N
MW276.34 g/mol
LogP5.31
Rot. Bonds3

About 1-(1-phenyldiazenylnaphthalen-2-yl)ethanol

1-(1-phenyldiazenylnaphthalen-2-yl)ethanol (PubChem CID 174970456) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(1-phenyldiazenylnaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-phenyldiazenylnaphthalen-2-yl)ethanol
PubChem CID174970456
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(1-phenyldiazenylnaphthalen-2-yl)ethanol
SMILESCC(O)c1ccc2ccccc2c1/N=N/c1ccccc1
InChIInChI=1S/C18H16N2O/c1-13(21)16-12-11-14-7-5-6-10-17(14)18(16)20-19-15-8-3-2-4-9-15/h2-13,21H,1H3/b20-19+
InChIKeyATPTYSVFDCIPHM-FMQUCBEESA-N
XLogP5.31
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.34
LogP ≤ 55.31
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 1-(1-phenyldiazenylnaphthalen-2-yl)ethanol 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-(1-phenyldiazenylnaphthalen-2-yl)ethanol?
The IUPAC name of 1-(1-phenyldiazenylnaphthalen-2-yl)ethanol (CID 174970456) is 1-(1-phenyldiazenylnaphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(1-phenyldiazenylnaphthalen-2-yl)ethanol?
The canonical SMILES for 1-(1-phenyldiazenylnaphthalen-2-yl)ethanol is CC(O)c1ccc2ccccc2c1/N=N/c1ccccc1.
What is the InChIKey of 1-(1-phenyldiazenylnaphthalen-2-yl)ethanol?
The InChIKey is ATPTYSVFDCIPHM-FMQUCBEESA-N. The full InChI is InChI=1S/C18H16N2O/c1-13(21)16-12-11-14-7-5-6-10-17(14)18(16)20-19-15-8-3-2-4-9-15/h2-13,21H,1H3/b20-19+.
What are the key properties of 1-(1-phenyldiazenylnaphthalen-2-yl)ethanol?
1-(1-phenyldiazenylnaphthalen-2-yl)ethanol has a molecular weight of 276.34 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyldiazenylnaphthalen-2-yl)ethanol is sourced from PubChem (CID 174970456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).