4-(naphthalen-1-yliminomethyl)benzene-1,3-diol

C17H13NO2 — CID 831397

IUPAC4-(naphthalen-1-yliminomethyl)benzene-1,3-diol
SMILESOc1ccc(/C=N/c2cccc3ccccc23)c(O)c1
InChIInChI=1S/C17H13NO2/c19-14-9-8-13(17(20)10-14)11-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,19-20H/b18-11+
InChIKeyRJBRMIUDYFYKSS-WOJGMQOQSA-N
MW263.30 g/mol
LogP4.00
Rot. Bonds2

About 4-(naphthalen-1-yliminomethyl)benzene-1,3-diol

4-(naphthalen-1-yliminomethyl)benzene-1,3-diol (PubChem CID 831397) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(naphthalen-1-yliminomethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(naphthalen-1-yliminomethyl)benzene-1,3-diol
PubChem CID831397
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name4-(naphthalen-1-yliminomethyl)benzene-1,3-diol
SMILESOc1ccc(/C=N/c2cccc3ccccc23)c(O)c1
InChIInChI=1S/C17H13NO2/c19-14-9-8-13(17(20)10-14)11-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,19-20H/b18-11+
InChIKeyRJBRMIUDYFYKSS-WOJGMQOQSA-N
XLogP4.00
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(Anilinomethylidene)-2-naphthalenone
CID 269969
2-(Naphthalen-1-yliminomethyl)-phenol
CID 690983
2-(Naphthalen-1-yliminomethyl)-4-nitro-phenol
CID 690984
3-[(E)-(naphthalen-1-ylimino)methyl]benzene-1,2-diol
CID 792072
Benzene-1,3-diol, 4-(2-hydroxyphenyliminomethyl)-
CID 556793
Mls002920165
CID 280649
4-{(E)-(4-Hydroxyphenyl)[(2-Methylphenyl)imino]methyl}benzene-1,3-Diol
CID 136046139
4-[(E)-[(4-Fluorophenyl)imino](4-Hydroxyphenyl)methyl]benzene-1,3-Diol
CID 136046146
1-{(E)-[(4-vinylphenyl)imino]methyl}-2-naphthol
CID 4445693
1-(((4-Iodophenyl)imino)methyl)naphthalen-2-ol
CID 1083504
1-(O-Tolyliminomethyl)-2-naphthol
CID 548604

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-yliminomethyl)benzene-1,3-diol?
The IUPAC name of 4-(naphthalen-1-yliminomethyl)benzene-1,3-diol (CID 831397) is 4-(naphthalen-1-yliminomethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(naphthalen-1-yliminomethyl)benzene-1,3-diol?
The canonical SMILES for 4-(naphthalen-1-yliminomethyl)benzene-1,3-diol is Oc1ccc(/C=N/c2cccc3ccccc23)c(O)c1.
What is the InChIKey of 4-(naphthalen-1-yliminomethyl)benzene-1,3-diol?
The InChIKey is RJBRMIUDYFYKSS-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H13NO2/c19-14-9-8-13(17(20)10-14)11-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,19-20H/b18-11+.
What are the key properties of 4-(naphthalen-1-yliminomethyl)benzene-1,3-diol?
4-(naphthalen-1-yliminomethyl)benzene-1,3-diol has a molecular weight of 263.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-yliminomethyl)benzene-1,3-diol is sourced from PubChem (CID 831397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).