4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol

C19H18N2O2 — CID 136662732

IUPAC4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol
SMILESCOc1cccc2c(/N=N/c3cc(C)cc(C)c3)ccc(O)c12
InChIInChI=1S/C19H18N2O2/c1-12-9-13(2)11-14(10-12)20-21-16-7-8-17(22)19-15(16)5-4-6-18(19)23-3/h4-11,22H,1-3H3/b21-20+
InChIKeyDOBGPDJSMBHFNI-QZQOTICOSA-N
MW306.37 g/mol
LogP5.59
Rot. Bonds3

About 4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol

4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol (PubChem CID 136662732) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol
PubChem CID136662732
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol
SMILESCOc1cccc2c(/N=N/c3cc(C)cc(C)c3)ccc(O)c12
InChIInChI=1S/C19H18N2O2/c1-12-9-13(2)11-14(10-12)20-21-16-7-8-17(22)19-15(16)5-4-6-18(19)23-3/h4-11,22H,1-3H3/b21-20+
InChIKeyDOBGPDJSMBHFNI-QZQOTICOSA-N
XLogP5.59
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.59
H-Bond Donors ≤ 51
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

5-methoxy-7-methylnaphthalene-1,4-diol
CID 10608250
2-[(3,5-dimethylphenyl)diazenyl]-4-methylphenol
CID 3520182
(2,4-dimethoxy-3-methylphenyl)-(3-methylphenyl)diazene
CID 175389531
8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol
CID 136661697
4-bromo-8-methoxy-6-methylnaphthalen-1-ol
CID 163914656
3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol
CID 136718442
8-methoxy-3-methyl-4-phenylnaphthalen-1-ol
CID 101420154
3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol
CID 136991159
(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555
4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol
CID 74818012
6-bromo-5,8-dimethoxynaphthalen-1-ol
CID 15489720
4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol
CID 136628846

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol?
The IUPAC name of 4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol (CID 136662732) is 4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol?
The canonical SMILES for 4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol is COc1cccc2c(/N=N/c3cc(C)cc(C)c3)ccc(O)c12.
What is the InChIKey of 4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol?
The InChIKey is DOBGPDJSMBHFNI-QZQOTICOSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-9-13(2)11-14(10-12)20-21-16-7-8-17(22)19-15(16)5-4-6-18(19)23-3/h4-11,22H,1-3H3/b21-20+.
What are the key properties of 4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol?
4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol has a molecular weight of 306.37 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol is sourced from PubChem (CID 136662732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).