2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol

C17H14N2O — CID 137317295

IUPAC2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1cccc2ccccc12
InChIInChI=1S/C17H14N2O/c20-17-11-4-2-7-14(17)12-18-19-16-10-5-8-13-6-1-3-9-15(13)16/h1-12,19-20H/b18-12+
InChIKeyNRTCQNYMCVHLCV-LDADJPATSA-N
MW262.31 g/mol
LogP3.99
Rot. Bonds3

About 2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol

2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol (PubChem CID 137317295) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol
PubChem CID137317295
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1cccc2ccccc12
InChIInChI=1S/C17H14N2O/c20-17-11-4-2-7-14(17)12-18-19-16-10-5-8-13-6-1-3-9-15(13)16/h1-12,19-20H/b18-12+
InChIKeyNRTCQNYMCVHLCV-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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Related Compounds

Salicylaldehyde phenylhydrazone
CID 135401296
N-Phenyl-N'-(4-hydroxybenzylidene) hydrazine
CID 135519945
2-(Naphthalen-1-yliminomethyl)-phenol
CID 690983
(E)-1-((2-phenylhydrazono)methyl)naphthalen-2-ol
CID 135408541
4-(Naphthalen-1-yliminomethyl)-phenol
CID 619022
2-[N-anilino-C-(2-hydroxyphenyl)carbonimidoyl]phenol
CID 266986
2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135401303
4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 135519910
Phenol, 2-[(2-naphthalenylimino)methyl]-
CID 619023
CID 136961637
CID 136961637
2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135520655
2-Hydroxybenzaldehyde phenylhydrazone
CID 249842

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol (CID 137317295) is 2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol is Oc1ccccc1/C=N/Nc1cccc2ccccc12.
What is the InChIKey of 2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol?
The InChIKey is NRTCQNYMCVHLCV-LDADJPATSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-11-4-2-7-14(17)12-18-19-16-10-5-8-13-6-1-3-9-15(13)16/h1-12,19-20H/b18-12+.
What are the key properties of 2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol?
2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol 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 2-[(E)-(naphthalen-1-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 137317295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).