2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol

C27H38O — CID 132820450

IUPAC2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol
SMILESCC(C)(C)c1cc(C(c2ccccc2)C2CCCCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H38O/c1-26(2,3)22-17-21(18-23(25(22)28)27(4,5)6)24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,17-18,20,24,28H,8,11-12,15-16H2,1-6H3
InChIKeyGKZWWTSAVRALLF-UHFFFAOYSA-N
MW378.60 g/mol
LogP7.70
Rot. Bonds3

About 2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol

2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol (PubChem CID 132820450) has the molecular formula C27H38O and a molecular weight of 378.60 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol
PubChem CID132820450
Molecular FormulaC27H38O
Molecular Weight378.60 g/mol
Exact Mass378.29
IUPAC Name2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol
SMILESCC(C)(C)c1cc(C(c2ccccc2)C2CCCCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H38O/c1-26(2,3)22-17-21(18-23(25(22)28)27(4,5)6)24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,17-18,20,24,28H,8,11-12,15-16H2,1-6H3
InChIKeyGKZWWTSAVRALLF-UHFFFAOYSA-N
XLogP7.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-ditert-butyl-4-[cyclopentyl-(4-methoxyphenyl)methyl]phenol
CID 132820452
4-[(S)-amino(cyclohexyl)methyl]-2,6-ditert-butylphenol;hydrochloride
CID 171217339
4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol
CID 171197827
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-ditert-butylphenol;hydrochloride
CID 171160610
2,6-ditert-butyl-4-[methylamino(phenyl)methyl]phenol
CID 139761917
2,6-ditert-butyl-4-[1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]phenol
CID 88613087
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
2,6-ditert-butyl-4-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272272
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
2,6-ditert-butyl-4-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272270
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol (CID 132820450) is 2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol is CC(C)(C)c1cc(C(c2ccccc2)C2CCCCC2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol?
The InChIKey is GKZWWTSAVRALLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O/c1-26(2,3)22-17-21(18-23(25(22)28)27(4,5)6)24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,17-18,20,24,28H,8,11-12,15-16H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol?
2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol has a molecular weight of 378.60 g/mol, XLogP of 7.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol is sourced from PubChem (CID 132820450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).