1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol

C25H30N2O2 — CID 135787784

IUPAC1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol
SMILESCc1ccc(O)c(/N=N/c2c(O)ccc3cc(C(C)(C)CC(C)(C)C)ccc23)c1
InChIInChI=1S/C25H30N2O2/c1-16-7-11-21(28)20(13-16)26-27-23-19-10-9-18(14-17(19)8-12-22(23)29)25(5,6)15-24(2,3)4/h7-14,28-29H,15H2,1-6H3/b27-26+
InChIKeyCAVZSRFTIFXEJH-CYYJNZCTSA-N
MW390.53 g/mol
LogP7.69
Rot. Bonds4

About 1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol

1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol (PubChem CID 135787784) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol
PubChem CID135787784
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol
SMILESCc1ccc(O)c(/N=N/c2c(O)ccc3cc(C(C)(C)CC(C)(C)C)ccc23)c1
InChIInChI=1S/C25H30N2O2/c1-16-7-11-21(28)20(13-16)26-27-23-19-10-9-18(14-17(19)8-12-22(23)29)25(5,6)15-24(2,3)4/h7-14,28-29H,15H2,1-6H3/b27-26+
InChIKeyCAVZSRFTIFXEJH-CYYJNZCTSA-N
XLogP7.69
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-methyl-1-phenyldiazenylnaphthalen-2-ol
CID 135829765
sodium 5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate
CID 135801975
sodium 5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
CID 135422001
benzene;2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
CID 160570750
2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol
CID 136862367
4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 521263
6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol
CID 2749675
barium(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonic acid;5-methyl-2-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate
CID 136694057
2-(2,4,4-trimethylpentan-2-yl)naphthalene
CID 18987503
1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol
CID 2843870
3-[(2-hydroxy-6-methylnaphthalen-1-yl)diazenyl]benzenesulfonate
CID 135984927
2-[2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylphenyl]-3-methyl-1H-pyrazol-5-one
CID 135436621

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol?
The IUPAC name of 1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol (CID 135787784) is 1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol?
The canonical SMILES for 1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol is Cc1ccc(O)c(/N=N/c2c(O)ccc3cc(C(C)(C)CC(C)(C)C)ccc23)c1.
What is the InChIKey of 1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol?
The InChIKey is CAVZSRFTIFXEJH-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-16-7-11-21(28)20(13-16)26-27-23-19-10-9-18(14-17(19)8-12-22(23)29)25(5,6)15-24(2,3)4/h7-14,28-29H,15H2,1-6H3/b27-26+.
What are the key properties of 1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol?
1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol has a molecular weight of 390.53 g/mol, XLogP of 7.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol is sourced from PubChem (CID 135787784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).