2-phenyldiazenylnaphthalene-1,4-diol

C16H12N2O2 — CID 135400911

IUPAC2-phenyldiazenylnaphthalene-1,4-diol
SMILESOc1cc(/N=N/c2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C16H12N2O2/c19-15-10-14(18-17-11-6-2-1-3-7-11)16(20)13-9-5-4-8-12(13)15/h1-10,19-20H/b18-17+
InChIKeyNYKBVQAMYKSHLA-ISLYRVAYSA-N
MW264.28 g/mol
LogP4.67
Rot. Bonds2

About 2-phenyldiazenylnaphthalene-1,4-diol

2-phenyldiazenylnaphthalene-1,4-diol (PubChem CID 135400911) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-phenyldiazenylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-phenyldiazenylnaphthalene-1,4-diol
PubChem CID135400911
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-phenyldiazenylnaphthalene-1,4-diol
SMILESOc1cc(/N=N/c2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C16H12N2O2/c19-15-10-14(18-17-11-6-2-1-3-7-11)16(20)13-9-5-4-8-12(13)15/h1-10,19-20H/b18-17+
InChIKeyNYKBVQAMYKSHLA-ISLYRVAYSA-N
XLogP4.67
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
2-phenyldiazenylphenol
CID 16897
2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
CID 137230626
2-fluoro-5-phenyldiazenylphenol
CID 175493253
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
CID 135727414
2-(propylideneamino)naphthalene-1,4-diol
CID 123930537
4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol
CID 135415657
2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol
CID 137230625
2-methyl-4-phenyldiazenylbenzene-1,3-diol
CID 151351632
2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol
CID 136665588
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770

Frequently Asked Questions

What is the IUPAC name of 2-phenyldiazenylnaphthalene-1,4-diol?
The IUPAC name of 2-phenyldiazenylnaphthalene-1,4-diol (CID 135400911) is 2-phenyldiazenylnaphthalene-1,4-diol.
What is the SMILES notation for 2-phenyldiazenylnaphthalene-1,4-diol?
The canonical SMILES for 2-phenyldiazenylnaphthalene-1,4-diol is Oc1cc(/N=N/c2ccccc2)c(O)c2ccccc12.
What is the InChIKey of 2-phenyldiazenylnaphthalene-1,4-diol?
The InChIKey is NYKBVQAMYKSHLA-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-10-14(18-17-11-6-2-1-3-7-11)16(20)13-9-5-4-8-12(13)15/h1-10,19-20H/b18-17+.
What are the key properties of 2-phenyldiazenylnaphthalene-1,4-diol?
2-phenyldiazenylnaphthalene-1,4-diol has a molecular weight of 264.28 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyldiazenylnaphthalene-1,4-diol is sourced from PubChem (CID 135400911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).