4-(naphthalen-1-yliminomethyl)phenol

C17H13NO — CID 619022

IUPAC4-(naphthalen-1-yliminomethyl)phenol
SMILESOc1ccc(/C=N/c2cccc3ccccc23)cc1
InChIInChI=1S/C17H13NO/c19-15-10-8-13(9-11-15)12-18-17-7-3-5-14-4-1-2-6-16(14)17/h1-12,19H/b18-12+
InChIKeyGWZBECWYBXRWNF-LDADJPATSA-N
MW247.30 g/mol
LogP4.30
Rot. Bonds2

About 4-(naphthalen-1-yliminomethyl)phenol

4-(naphthalen-1-yliminomethyl)phenol (PubChem CID 619022) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(naphthalen-1-yliminomethyl)phenol.

Molecular Properties

Compound Name4-(naphthalen-1-yliminomethyl)phenol
PubChem CID619022
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name4-(naphthalen-1-yliminomethyl)phenol
SMILESOc1ccc(/C=N/c2cccc3ccccc23)cc1
InChIInChI=1S/C17H13NO/c19-15-10-8-13(9-11-15)12-18-17-7-3-5-14-4-1-2-6-16(14)17/h1-12,19H/b18-12+
InChIKeyGWZBECWYBXRWNF-LDADJPATSA-N
XLogP4.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-Hydroxyphenyliminomethyl)-2-naphthol
CID 269970
1-(((2-Hydroxyphenyl)imino)methyl)-2-naphthalenol
CID 85895
1-((5-Tert-butyl-2-hydroxyphenyl)iminomethyl)-2-napthol
CID 825674
1-(Anilinomethylidene)-2-naphthalenone
CID 269969
2-(Naphthalen-1-yliminomethyl)-phenol
CID 690983
4,4'-(Phenylcarbonimidoyl)diphenol
CID 136046127
2-(Naphthalen-1-yliminomethyl)-4-nitro-phenol
CID 690984
3-[(E)-(naphthalen-1-ylimino)methyl]benzene-1,2-diol
CID 792072
Mls002920165
CID 280649
4-{(E)-[(4-methylphenyl)imino]methyl}phenol
CID 611166
4-[[(4-Fluorophenyl)imino]methyl]phenol
CID 720254
4,4'-[(2-Methylphenyl)carbonimidoyl]diphenol
CID 136046128

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-yliminomethyl)phenol?
The IUPAC name of 4-(naphthalen-1-yliminomethyl)phenol (CID 619022) is 4-(naphthalen-1-yliminomethyl)phenol.
What is the SMILES notation for 4-(naphthalen-1-yliminomethyl)phenol?
The canonical SMILES for 4-(naphthalen-1-yliminomethyl)phenol is Oc1ccc(/C=N/c2cccc3ccccc23)cc1.
What is the InChIKey of 4-(naphthalen-1-yliminomethyl)phenol?
The InChIKey is GWZBECWYBXRWNF-LDADJPATSA-N. The full InChI is InChI=1S/C17H13NO/c19-15-10-8-13(9-11-15)12-18-17-7-3-5-14-4-1-2-6-16(14)17/h1-12,19H/b18-12+.
What are the key properties of 4-(naphthalen-1-yliminomethyl)phenol?
4-(naphthalen-1-yliminomethyl)phenol has a molecular weight of 247.30 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-yliminomethyl)phenol is sourced from PubChem (CID 619022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).