1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol

C21H21NO — CID 1284715

IUPAC1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol
SMILESCC(C)(C)c1ccccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C21H21NO/c1-21(2,3)18-10-6-7-11-19(18)22-14-17-16-9-5-4-8-15(16)12-13-20(17)23/h4-14,23H,1-3H3/b22-14+
InChIKeyWTAZQQOQVMVPSV-HYARGMPZSA-N
MW303.41 g/mol
LogP5.59
Rot. Bonds2

About 1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol

1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 1284715) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID1284715
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol
SMILESCC(C)(C)c1ccccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C21H21NO/c1-21(2,3)18-10-6-7-11-19(18)22-14-17-16-9-5-4-8-15(16)12-13-20(17)23/h4-14,23H,1-3H3/b22-14+
InChIKeyWTAZQQOQVMVPSV-HYARGMPZSA-N
XLogP5.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol (CID 1284715) is 1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol is CC(C)(C)c1ccccc1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is WTAZQQOQVMVPSV-HYARGMPZSA-N. The full InChI is InChI=1S/C21H21NO/c1-21(2,3)18-10-6-7-11-19(18)22-14-17-16-9-5-4-8-15(16)12-13-20(17)23/h4-14,23H,1-3H3/b22-14+.
What are the key properties of 1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol?
1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 303.41 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 1284715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).