1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol

C23H18N2O2 — CID 4179148

IUPAC1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H18N2O2/c26-22-15-10-18-8-4-5-9-21(18)23(22)25-24-19-11-13-20(14-12-19)27-16-17-6-2-1-3-7-17/h1-15,26H,16H2/b25-24+
InChIKeyGEMIMADESGFPFY-OCOZRVBESA-N
MW354.41 g/mol
LogP6.54
Rot. Bonds5

About 1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol

1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol (PubChem CID 4179148) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol
PubChem CID4179148
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H18N2O2/c26-22-15-10-18-8-4-5-9-21(18)23(22)25-24-19-11-13-20(14-12-19)27-16-17-6-2-1-3-7-17/h1-15,26H,16H2/b25-24+
InChIKeyGEMIMADESGFPFY-OCOZRVBESA-N
XLogP6.54
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 56.54
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 1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol (CID 4179148) is 1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/N=N/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol?
The InChIKey is GEMIMADESGFPFY-OCOZRVBESA-N. The full InChI is InChI=1S/C23H18N2O2/c26-22-15-10-18-8-4-5-9-21(18)23(22)25-24-19-11-13-20(14-12-19)27-16-17-6-2-1-3-7-17/h1-15,26H,16H2/b25-24+.
What are the key properties of 1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol?
1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol has a molecular weight of 354.41 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylmethoxyphenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 4179148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).