1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol

C21H21NO2 — CID 825674

IUPAC1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
SMILESCC(C)(C)c1ccc(O)c(/N=C/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C21H21NO2/c1-21(2,3)15-9-11-20(24)18(12-15)22-13-17-16-7-5-4-6-14(16)8-10-19(17)23/h4-13,23-24H,1-3H3/b22-13+
InChIKeyRXUUSHQNMCOPJZ-LPYMAVHISA-N
MW319.40 g/mol
LogP5.30
Rot. Bonds2

About 1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol

1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 825674) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
PubChem CID825674
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
SMILESCC(C)(C)c1ccc(O)c(/N=C/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C21H21NO2/c1-21(2,3)15-9-11-20(24)18(12-15)22-13-17-16-7-5-4-6-14(16)8-10-19(17)23/h4-13,23-24H,1-3H3/b22-13+
InChIKeyRXUUSHQNMCOPJZ-LPYMAVHISA-N
XLogP5.30
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol (CID 825674) is 1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol is CC(C)(C)c1ccc(O)c(/N=C/c2c(O)ccc3ccccc23)c1.
What is the InChIKey of 1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is RXUUSHQNMCOPJZ-LPYMAVHISA-N. The full InChI is InChI=1S/C21H21NO2/c1-21(2,3)15-9-11-20(24)18(12-15)22-13-17-16-7-5-4-6-14(16)8-10-19(17)23/h4-13,23-24H,1-3H3/b22-13+.
What are the key properties of 1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 319.40 g/mol, XLogP of 5.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 825674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).