4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol

C19H18N2O2 — CID 136653710

IUPAC4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol
SMILESCOc1cc(/N=N/c2cc(C)cc(C)c2)c2ccccc2c1O
InChIInChI=1S/C19H18N2O2/c1-12-8-13(2)10-14(9-12)20-21-17-11-18(23-3)19(22)16-7-5-4-6-15(16)17/h4-11,22H,1-3H3/b21-20+
InChIKeyYVJDKNRUDRASIU-QZQOTICOSA-N
MW306.37 g/mol
LogP5.59
Rot. Bonds3

About 4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol

4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol (PubChem CID 136653710) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol
PubChem CID136653710
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol
SMILESCOc1cc(/N=N/c2cc(C)cc(C)c2)c2ccccc2c1O
InChIInChI=1S/C19H18N2O2/c1-12-8-13(2)10-14(9-12)20-21-17-11-18(23-3)19(22)16-7-5-4-6-15(16)17/h4-11,22H,1-3H3/b21-20+
InChIKeyYVJDKNRUDRASIU-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol?
The IUPAC name of 4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol (CID 136653710) is 4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol?
The canonical SMILES for 4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol is COc1cc(/N=N/c2cc(C)cc(C)c2)c2ccccc2c1O.
What is the InChIKey of 4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol?
The InChIKey is YVJDKNRUDRASIU-QZQOTICOSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-8-13(2)10-14(9-12)20-21-17-11-18(23-3)19(22)16-7-5-4-6-15(16)17/h4-11,22H,1-3H3/b21-20+.
What are the key properties of 4-[(3,5-dimethylphenyl)diazenyl]-2-methoxynaphthalen-1-ol?
4-[(3,5-dimethylphenyl)diazenyl]-2-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]-2-methoxynaphthalen-1-ol is sourced from PubChem (CID 136653710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).