ethane;1-phenyldiazenylnaphthalen-2-ol

C20H24N2O — CID 136657953

IUPACethane;1-phenyldiazenylnaphthalen-2-ol
SMILESCC.CC.Oc1ccc2ccccc2c1/N=N/c1ccccc1
InChIInChI=1S/C16H12N2O.2C2H6/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;2*1-2/h1-11,19H;2*1-2H3/b18-17+;;
InChIKeyNUVAZSKYIZRMNI-QIKYXUGXSA-N
MW308.43 g/mol
LogP7.01
Rot. Bonds2

About ethane;1-phenyldiazenylnaphthalen-2-ol

ethane;1-phenyldiazenylnaphthalen-2-ol (PubChem CID 136657953) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is ethane;1-phenyldiazenylnaphthalen-2-ol.

Molecular Properties

Compound Nameethane;1-phenyldiazenylnaphthalen-2-ol
PubChem CID136657953
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Nameethane;1-phenyldiazenylnaphthalen-2-ol
SMILESCC.CC.Oc1ccc2ccccc2c1/N=N/c1ccccc1
InChIInChI=1S/C16H12N2O.2C2H6/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;2*1-2/h1-11,19H;2*1-2H3/b18-17+;;
InChIKeyNUVAZSKYIZRMNI-QIKYXUGXSA-N
XLogP7.01
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 57.01
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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Frequently Asked Questions

What is the IUPAC name of ethane;1-phenyldiazenylnaphthalen-2-ol?
The IUPAC name of ethane;1-phenyldiazenylnaphthalen-2-ol (CID 136657953) is ethane;1-phenyldiazenylnaphthalen-2-ol.
What is the SMILES notation for ethane;1-phenyldiazenylnaphthalen-2-ol?
The canonical SMILES for ethane;1-phenyldiazenylnaphthalen-2-ol is CC.CC.Oc1ccc2ccccc2c1/N=N/c1ccccc1.
What is the InChIKey of ethane;1-phenyldiazenylnaphthalen-2-ol?
The InChIKey is NUVAZSKYIZRMNI-QIKYXUGXSA-N. The full InChI is InChI=1S/C16H12N2O.2C2H6/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;2*1-2/h1-11,19H;2*1-2H3/b18-17+;;.
What are the key properties of ethane;1-phenyldiazenylnaphthalen-2-ol?
ethane;1-phenyldiazenylnaphthalen-2-ol has a molecular weight of 308.43 g/mol, XLogP of 7.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenyldiazenylnaphthalen-2-ol is sourced from PubChem (CID 136657953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).