2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol

C18H27NO2 — CID 137246755

IUPAC2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol
SMILESCc1cc(/C=N/C2CCCCC2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H27NO2/c1-12-9-13(17(21)14(10-12)18(2,3)4)11-19-15-7-5-6-8-16(15)20/h9-11,15-16,20-21H,5-8H2,1-4H3/b19-11+
InChIKeyNHYLWONOFBTVPJ-YBFXNURJSA-N
MW289.42 g/mol
LogP3.72
Rot. Bonds2

About 2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol

2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol (PubChem CID 137246755) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol
PubChem CID137246755
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol
SMILESCc1cc(/C=N/C2CCCCC2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H27NO2/c1-12-9-13(17(21)14(10-12)18(2,3)4)11-19-15-7-5-6-8-16(15)20/h9-11,15-16,20-21H,5-8H2,1-4H3/b19-11+
InChIKeyNHYLWONOFBTVPJ-YBFXNURJSA-N
XLogP3.72
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol (CID 137246755) is 2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol is Cc1cc(/C=N/C2CCCCC2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol?
The InChIKey is NHYLWONOFBTVPJ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-9-13(17(21)14(10-12)18(2,3)4)11-19-15-7-5-6-8-16(15)20/h9-11,15-16,20-21H,5-8H2,1-4H3/b19-11+.
What are the key properties of 2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol?
2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol has a molecular weight of 289.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol is sourced from PubChem (CID 137246755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).