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

C42H62O2 — CID 139824988

IUPAC2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol
SMILESCCCCCC(c1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1)c1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C42H62O2/c1-2-3-8-25-36(34-26-37(30-17-9-4-10-18-30)41(43)38(27-34)31-19-11-5-12-20-31)35-28-39(32-21-13-6-14-22-32)42(44)40(29-35)33-23-15-7-16-24-33/h26-33,36,43-44H,2-25H2,1H3
InChIKeyGHPXIGZFFKVTSV-UHFFFAOYSA-N
MW598.96 g/mol
LogP13.00
Rot. Bonds10

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

2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol (PubChem CID 139824988) has the molecular formula C42H62O2 and a molecular weight of 598.96 g/mol. Its IUPAC name is 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol.

Molecular Properties

Compound Name2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol
PubChem CID139824988
Molecular FormulaC42H62O2
Molecular Weight598.96 g/mol
Exact Mass598.47
IUPAC Name2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol
SMILESCCCCCC(c1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1)c1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C42H62O2/c1-2-3-8-25-36(34-26-37(30-17-9-4-10-18-30)41(43)38(27-34)31-19-11-5-12-20-31)35-28-39(32-21-13-6-14-22-32)42(44)40(29-35)33-23-15-7-16-24-33/h26-33,36,43-44H,2-25H2,1H3
InChIKeyGHPXIGZFFKVTSV-UHFFFAOYSA-N
XLogP13.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.96
LogP ≤ 513.00
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol?
The IUPAC name of 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol (CID 139824988) is 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol.
What is the SMILES notation for 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol?
The canonical SMILES for 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol is CCCCCC(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)hexyl]phenol?
The InChIKey is GHPXIGZFFKVTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H62O2/c1-2-3-8-25-36(34-26-37(30-17-9-4-10-18-30)41(43)38(27-34)31-19-11-5-12-20-31)35-28-39(32-21-13-6-14-22-32)42(44)40(29-35)33-23-15-7-16-24-33/h26-33,36,43-44H,2-25H2,1H3.
What are the key properties of 2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol?
2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol has a molecular weight of 598.96 g/mol, XLogP of 13.00, 10 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)hexyl]phenol is sourced from PubChem (CID 139824988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).