1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol

C19H18N2O — CID 135597429

IUPAC1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol
SMILESCc1ccc(/N=N/c2c(O)c(C)cc3ccccc23)cc1C
InChIInChI=1S/C19H18N2O/c1-12-8-9-16(11-13(12)2)20-21-18-17-7-5-4-6-15(17)10-14(3)19(18)22/h4-11,22H,1-3H3/b21-20+
InChIKeyOXFXSELOMHLHJG-QZQOTICOSA-N
MW290.37 g/mol
LogP5.89
Rot. Bonds2

About 1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol

1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol (PubChem CID 135597429) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol
PubChem CID135597429
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol
SMILESCc1ccc(/N=N/c2c(O)c(C)cc3ccccc23)cc1C
InChIInChI=1S/C19H18N2O/c1-12-8-9-16(11-13(12)2)20-21-18-17-7-5-4-6-15(17)10-14(3)19(18)22/h4-11,22H,1-3H3/b21-20+
InChIKeyOXFXSELOMHLHJG-QZQOTICOSA-N
XLogP5.89
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.37
LogP ≤ 55.89
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

1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol
CID 135597564
ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane
CID 136648288
5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135997650
1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol
CID 136629139
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]diazenyl]benzenesulfonic acid
CID 3020169
di(phenanthren-3-yl)diazene
CID 10786148
4-amino-3-[[4-[4-[(1-amino-3-sulfonaphthalen-2-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]naphthalene-2-sulfonic acid
CID 153382256
4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
CID 136901382
4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid
CID 135783962
(3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene
CID 54187201
[3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride
CID 3081985
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol?
The IUPAC name of 1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol (CID 135597429) is 1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol?
The canonical SMILES for 1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol is Cc1ccc(/N=N/c2c(O)c(C)cc3ccccc23)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol?
The InChIKey is OXFXSELOMHLHJG-QZQOTICOSA-N. The full InChI is InChI=1S/C19H18N2O/c1-12-8-9-16(11-13(12)2)20-21-18-17-7-5-4-6-15(17)10-14(3)19(18)22/h4-11,22H,1-3H3/b21-20+.
What are the key properties of 1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol?
1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol has a molecular weight of 290.37 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol is sourced from PubChem (CID 135597429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).