3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol

C14H16N2O — CID 135597296

IUPAC3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol
SMILESC/N=N/c1c(C)cc2cc(C)c(C)cc2c1O
InChIInChI=1S/C14H16N2O/c1-8-5-11-6-10(3)13(16-15-4)14(17)12(11)7-9(8)2/h5-7,17H,1-4H3/b16-15+
InChIKeyDSBJMIMBOGFEPI-FOCLMDBBSA-N
MW228.29 g/mol
LogP4.18
Rot. Bonds1

About 3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol

3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol (PubChem CID 135597296) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol.

Molecular Properties

Compound Name3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol
PubChem CID135597296
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol
SMILESC/N=N/c1c(C)cc2cc(C)c(C)cc2c1O
InChIInChI=1S/C14H16N2O/c1-8-5-11-6-10(3)13(16-15-4)14(17)12(11)7-9(8)2/h5-7,17H,1-4H3/b16-15+
InChIKeyDSBJMIMBOGFEPI-FOCLMDBBSA-N
XLogP4.18
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 54.18
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'}

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Related Compounds

ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane
CID 136648699
ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane
CID 136648288
butane;ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;methyl-(4-methylphenyl)diazene;naphthalene;propane
CID 158181040
8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene
CID 136649512
2,6-dimethyl-4-(methyldiazenyl)phenol
CID 136994157
6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol
CID 135997793
2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol
CID 158189800
6,7-dimethyl-2-[(methylideneamino)methyldiazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol
CID 135962600
2-[(1-hydroxy-3,6-dimethylnaphthalen-2-yl)diazenyl]-5-methylbenzenesulfonic acid
CID 135714424
2-[(6,7-diamino-1-hydroxy-3-methylnaphthalen-2-yl)diazenyl]-5-methylbenzenesulfonic acid;hydrate
CID 157271428
7-(dimethylamino)-2,3,6-trimethylnaphthalen-1-ol
CID 54342152
(3,4-dimethylphenyl)-methyldiazene;ethane
CID 91109897

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol?
The IUPAC name of 3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol (CID 135597296) is 3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol.
What is the SMILES notation for 3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol?
The canonical SMILES for 3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol is C/N=N/c1c(C)cc2cc(C)c(C)cc2c1O.
What is the InChIKey of 3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol?
The InChIKey is DSBJMIMBOGFEPI-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H16N2O/c1-8-5-11-6-10(3)13(16-15-4)14(17)12(11)7-9(8)2/h5-7,17H,1-4H3/b16-15+.
What are the key properties of 3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol?
3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol has a molecular weight of 228.29 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol is sourced from PubChem (CID 135597296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).