1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol

C16H12N2O — CID 135818270

IUPAC1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol
SMILES[2H]c1c([2H])c([2H])c(/N=N/c2c(O)ccc3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H/b18-17+/i1D,2D,3D,7D,8D
InChIKeyMRQIXHXHHPWVIL-BWDNVODCSA-N
MW253.32 g/mol
LogP4.96
Rot. Bonds2

About 1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol

1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol (PubChem CID 135818270) has the molecular formula C16H12N2O and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol
PubChem CID135818270
Molecular FormulaC16H12N2O
Molecular Weight253.32 g/mol
Exact Mass253.13
IUPAC Name1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol
SMILES[2H]c1c([2H])c([2H])c(/N=N/c2c(O)ccc3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H/b18-17+/i1D,2D,3D,7D,8D
InChIKeyMRQIXHXHHPWVIL-BWDNVODCSA-N
XLogP4.96
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 54.96
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-(Phenylazo)-2-naphthol
CID 13297
1-(p-Phenylazophenylazo)-2-naphthol (Sudan III)
CID 62331
C.I. Solvent Red 80
CID 22830
Orange OT
CID 17550
C.I. Acid Orange 7
CID 135442941
Toluidine Red
CID 17047
1-Nitroso-2-naphthol
CID 8580
Fast Orange
CID 18981
8-Amino-2-naphthalenol
CID 8358
5-Amino-2-naphthol
CID 6865
Solvent red 1
CID 14678
6-Hydroxy-5-(4-sulfophenylazo)-2-naphthalenesulfonic acid
CID 17731

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol (CID 135818270) is 1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol is [2H]c1c([2H])c([2H])c(/N=N/c2c(O)ccc3ccccc23)c([2H])c1[2H].
What is the InChIKey of 1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is MRQIXHXHHPWVIL-BWDNVODCSA-N. The full InChI is InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H/b18-17+/i1D,2D,3D,7D,8D.
What are the key properties of 1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol?
1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 253.32 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 135818270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).