2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol

C43H64O2 — CID 139824888

IUPAC2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol
SMILESCCCCCCC(c1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1)c1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C43H64O2/c1-2-3-4-17-26-37(35-27-38(31-18-9-5-10-19-31)42(44)39(28-35)32-20-11-6-12-21-32)36-29-40(33-22-13-7-14-23-33)43(45)41(30-36)34-24-15-8-16-25-34/h27-34,37,44-45H,2-26H2,1H3
InChIKeyVTRFNTGGUUKJMX-UHFFFAOYSA-N
MW612.98 g/mol
LogP13.39
Rot. Bonds11

About 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol

2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol (PubChem CID 139824888) has the molecular formula C43H64O2 and a molecular weight of 612.98 g/mol. Its IUPAC name is 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol.

Molecular Properties

Compound Name2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol
PubChem CID139824888
Molecular FormulaC43H64O2
Molecular Weight612.98 g/mol
Exact Mass612.49
IUPAC Name2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol
SMILESCCCCCCC(c1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1)c1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C43H64O2/c1-2-3-4-17-26-37(35-27-38(31-18-9-5-10-19-31)42(44)39(28-35)32-20-11-6-12-21-32)36-29-40(33-22-13-7-14-23-33)43(45)41(30-36)34-24-15-8-16-25-34/h27-34,37,44-45H,2-26H2,1H3
InChIKeyVTRFNTGGUUKJMX-UHFFFAOYSA-N
XLogP13.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.98
LogP ≤ 513.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol
CID 139824988
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 19940310
4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol
CID 18961339
4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
CID 135345606
2-cyclohexyl-4-decyl-6-methylphenol
CID 174344111
2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 18961281
2,6-dicyclohexyl-4-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)heptan-3-yl]phenol
CID 139825067
1-(4-cyclohexylphenyl)octan-1-ol
CID 63426970
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid
CID 151162451
4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol
CID 139825043
3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol;octadecan-1-ol
CID 67820971

Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol?
The IUPAC name of 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol (CID 139824888) is 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol.
What is the SMILES notation for 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol?
The canonical SMILES for 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol is CCCCCCC(c1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1)c1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1.
What is the InChIKey of 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol?
The InChIKey is VTRFNTGGUUKJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H64O2/c1-2-3-4-17-26-37(35-27-38(31-18-9-5-10-19-31)42(44)39(28-35)32-20-11-6-12-21-32)36-29-40(33-22-13-7-14-23-33)43(45)41(30-36)34-24-15-8-16-25-34/h27-34,37,44-45H,2-26H2,1H3.
What are the key properties of 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol?
2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol has a molecular weight of 612.98 g/mol, XLogP of 13.39, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol is sourced from PubChem (CID 139824888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).