1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol

C17H14N2O — CID 135408541

IUPAC1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/Nc1ccccc1
InChIInChI=1S/C17H14N2O/c20-17-11-10-13-6-4-5-9-15(13)16(17)12-18-19-14-7-2-1-3-8-14/h1-12,19-20H/b18-12+
InChIKeyWWIIENGSINYUES-LDADJPATSA-N
MW262.31 g/mol
LogP3.99
Rot. Bonds3

About 1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol

1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol (PubChem CID 135408541) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol
PubChem CID135408541
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/Nc1ccccc1
InChIInChI=1S/C17H14N2O/c20-17-11-10-13-6-4-5-9-15(13)16(17)12-18-19-14-7-2-1-3-8-14/h1-12,19-20H/b18-12+
InChIKeyWWIIENGSINYUES-LDADJPATSA-N
XLogP3.99
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol (CID 135408541) is 1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/Nc1ccccc1.
What is the InChIKey of 1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol?
The InChIKey is WWIIENGSINYUES-LDADJPATSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-11-10-13-6-4-5-9-15(13)16(17)12-18-19-14-7-2-1-3-8-14/h1-12,19-20H/b18-12+.
What are the key properties of 1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol?
1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol has a molecular weight of 262.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(phenylhydrazinylidene)methyl]naphthalen-2-ol is sourced from PubChem (CID 135408541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).