1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol

C18H16N2O3 — CID 22830

IUPAC1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol
SMILESCOc1ccc(OC)c(/N=N/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3/b20-19+
InChIKeyGJUABKCEXOMRPQ-FMQUCBEESA-N
MW308.34 g/mol
LogP4.98
Rot. Bonds4

About 1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol

1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol (PubChem CID 22830) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol
PubChem CID22830
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol
SMILESCOc1ccc(OC)c(/N=N/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3/b20-19+
InChIKeyGJUABKCEXOMRPQ-FMQUCBEESA-N
XLogP4.98
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(Phenylazo)-2-naphthol
CID 13297
Orange OT
CID 17550
Solvent red 1
CID 14678
Basic Red 76
CID 110099
1-(2-Hydroxyphenylazo)-2-naphthol
CID 173398
2-[(3-Methoxyphenyl)diazenyl]-1-naphthol
CID 135442101
1-(4-Methoxyphenylazo)-2-naphthol
CID 139450
[3-[[2-Hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]phenyl]boronic acid
CID 136053668
1-[2-(2,5-Dimethylphenyl)diazenyl]-2-naphthalenol
CID 6823
1-((3-Methylphenyl)azo)-2-naphthalenol
CID 588850
Sudan I-d5
CID 135818270
1-((4-Methoxy-2-nitrophenyl)azo)-2-naphthol
CID 162577

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol (CID 22830) is 1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol is COc1ccc(OC)c(/N=N/c2c(O)ccc3ccccc23)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol?
The InChIKey is GJUABKCEXOMRPQ-FMQUCBEESA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3/b20-19+.
What are the key properties of 1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol?
1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol has a molecular weight of 308.34 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 22830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).