6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol

C18H16N2O — CID 136606671

IUPAC6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol
SMILESCc1ccc(/N=N/c2ccc3cc(C)ccc3c2O)cc1
InChIInChI=1S/C18H16N2O/c1-12-3-7-15(8-4-12)19-20-17-10-6-14-11-13(2)5-9-16(14)18(17)21/h3-11,21H,1-2H3/b20-19+
InChIKeyGILAYZCGQNBAQZ-FMQUCBEESA-N
MW276.34 g/mol
LogP5.58
Rot. Bonds2

About 6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol

6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol (PubChem CID 136606671) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol
PubChem CID136606671
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol
SMILESCc1ccc(/N=N/c2ccc3cc(C)ccc3c2O)cc1
InChIInChI=1S/C18H16N2O/c1-12-3-7-15(8-4-12)19-20-17-10-6-14-11-13(2)5-9-16(14)18(17)21/h3-11,21H,1-2H3/b20-19+
InChIKeyGILAYZCGQNBAQZ-FMQUCBEESA-N
XLogP5.58
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.34
LogP ≤ 55.58
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 6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-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-[[2-hydroxy-4-[[4-[[4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-6-methylnaphthalen-1-ol
CID 137279923
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
copper;2-[[2-hydroxy-4-(methyldiazenyl)phenyl]diazenyl]-6-methylnaphthalen-1-ol;methoxymethane;sulfur trioxide
CID 159809926
CID 159135966
CID 159135966
6-methyl-1-phenyldiazenylnaphthalen-2-ol
CID 135829765
bis(4-methylphenyl)diazene
CID 10389
1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol
CID 135597564
7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol
CID 175748913
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
2-[(4-bromophenyl)diazenyl]naphthalen-1-ol
CID 3802677
2,7-dimethylphenanthrene;ethane
CID 91503011
2-[(1-hydroxy-3,6-dimethylnaphthalen-2-yl)diazenyl]-5-methylbenzenesulfonic acid
CID 135714424

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol (CID 136606671) is 6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol is Cc1ccc(/N=N/c2ccc3cc(C)ccc3c2O)cc1.
What is the InChIKey of 6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol?
The InChIKey is GILAYZCGQNBAQZ-FMQUCBEESA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-3-7-15(8-4-12)19-20-17-10-6-14-11-13(2)5-9-16(14)18(17)21/h3-11,21H,1-2H3/b20-19+.
What are the key properties of 6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol?
6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol has a molecular weight of 276.34 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 136606671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).