2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol

C29H39NO — CID 137225880

IUPAC2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
SMILESCC(C)(C)c1cccc(/C=N/c2c(C3CCCCC3)cccc2C2CCCCC2)c1O
InChIInChI=1S/C29H39NO/c1-29(2,3)26-19-10-16-23(28(26)31)20-30-27-24(21-12-6-4-7-13-21)17-11-18-25(27)22-14-8-5-9-15-22/h10-11,16-22,31H,4-9,12-15H2,1-3H3/b30-20+
InChIKeyQJTZVUGMPYORBI-TWKHWXDSSA-N
MW417.64 g/mol
LogP8.54
Rot. Bonds4

About 2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol

2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol (PubChem CID 137225880) has the molecular formula C29H39NO and a molecular weight of 417.64 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
PubChem CID137225880
Molecular FormulaC29H39NO
Molecular Weight417.64 g/mol
Exact Mass417.30
IUPAC Name2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
SMILESCC(C)(C)c1cccc(/C=N/c2c(C3CCCCC3)cccc2C2CCCCC2)c1O
InChIInChI=1S/C29H39NO/c1-29(2,3)26-19-10-16-23(28(26)31)20-30-27-24(21-12-6-4-7-13-21)17-11-18-25(27)22-14-8-5-9-15-22/h10-11,16-22,31H,4-9,12-15H2,1-3H3/b30-20+
InChIKeyQJTZVUGMPYORBI-TWKHWXDSSA-N
XLogP8.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.64
LogP ≤ 58.54
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

2-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
CID 137225896
2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium
CID 175086437
bis(2-tert-butyl-6-(cyclohexyliminomethyl)phenol);dichlorozirconium
CID 139252629
2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol
CID 137225849
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol
CID 136835974
2-tert-butyl-6-cyclopropylphenol
CID 139975684
2-tert-butyl-6-[[2,4,6-tris(pentafluoro-λ6-sulfanyl)phenyl]iminomethyl]phenol
CID 153465269
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
N-(2,6-dicyclohexylphenyl)-1-[6-[(2,6-dicyclohexylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride
CID 173242929
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
2-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-(4-methylphenyl)methyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 136635876
bis(2-tert-butyl-6-(cyclopropyliminomethyl)phenol);dichlorozirconium
CID 139252627

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol?
The IUPAC name of 2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol (CID 137225880) is 2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol is CC(C)(C)c1cccc(/C=N/c2c(C3CCCCC3)cccc2C2CCCCC2)c1O.
What is the InChIKey of 2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol?
The InChIKey is QJTZVUGMPYORBI-TWKHWXDSSA-N. The full InChI is InChI=1S/C29H39NO/c1-29(2,3)26-19-10-16-23(28(26)31)20-30-27-24(21-12-6-4-7-13-21)17-11-18-25(27)22-14-8-5-9-15-22/h10-11,16-22,31H,4-9,12-15H2,1-3H3/b30-20+.
What are the key properties of 2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol?
2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol has a molecular weight of 417.64 g/mol, XLogP of 8.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol is sourced from PubChem (CID 137225880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).