4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol

C32H56O — CID 18961339

IUPAC4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol
SMILESCCCCCCCCCCCCCCC(C)c1cc(C(C)(C)C)cc(C2CCCCC2)c1O
InChIInChI=1S/C32H56O/c1-6-7-8-9-10-11-12-13-14-15-16-18-21-26(2)29-24-28(32(3,4)5)25-30(31(29)33)27-22-19-17-20-23-27/h24-27,33H,6-23H2,1-5H3
InChIKeyJMDIZINTEBFYLR-UHFFFAOYSA-N
MW456.80 g/mol
LogP10.93
Rot. Bonds15

About 4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol

4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol (PubChem CID 18961339) has the molecular formula C32H56O and a molecular weight of 456.80 g/mol. Its IUPAC name is 4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol
PubChem CID18961339
Molecular FormulaC32H56O
Molecular Weight456.80 g/mol
Exact Mass456.43
IUPAC Name4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol
SMILESCCCCCCCCCCCCCCC(C)c1cc(C(C)(C)C)cc(C2CCCCC2)c1O
InChIInChI=1S/C32H56O/c1-6-7-8-9-10-11-12-13-14-15-16-18-21-26(2)29-24-28(32(3,4)5)25-30(31(29)33)27-22-19-17-20-23-27/h24-27,33H,6-23H2,1-5H3
InChIKeyJMDIZINTEBFYLR-UHFFFAOYSA-N
XLogP10.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.80
LogP ≤ 510.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 18961281
2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol
CID 18961291
2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol
CID 139824888
2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol
CID 139824988
4-tert-butyl-2-octadecan-2-yl-6-(1-phenylethyl)phenol
CID 18961297
2,6-dicyclohexyl-4-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)heptan-3-yl]phenol
CID 139825067
2,6-di(hexadecan-2-yl)-4-propylphenol
CID 21499301
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol
CID 21020610
4-butyl-2,6-di(icosan-2-yl)phenol
CID 21499273
2-cyclohexyl-4-decyl-6-methylphenol
CID 174344111
2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
2,6-ditert-butyl-4-dodecan-2-ylphenol
CID 88842140

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol?
The IUPAC name of 4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol (CID 18961339) is 4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol.
What is the SMILES notation for 4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol?
The canonical SMILES for 4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol is CCCCCCCCCCCCCCC(C)c1cc(C(C)(C)C)cc(C2CCCCC2)c1O.
What is the InChIKey of 4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol?
The InChIKey is JMDIZINTEBFYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56O/c1-6-7-8-9-10-11-12-13-14-15-16-18-21-26(2)29-24-28(32(3,4)5)25-30(31(29)33)27-22-19-17-20-23-27/h24-27,33H,6-23H2,1-5H3.
What are the key properties of 4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol?
4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol has a molecular weight of 456.80 g/mol, XLogP of 10.93, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol is sourced from PubChem (CID 18961339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).