2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol

C30H42O2 — CID 19940310

IUPAC2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
SMILESCCCC(c1cc(C)c(O)c(C2CCCCC2)c1)c1cc(C)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C30H42O2/c1-4-11-26(24-16-20(2)29(31)27(18-24)22-12-7-5-8-13-22)25-17-21(3)30(32)28(19-25)23-14-9-6-10-15-23/h16-19,22-23,26,31-32H,4-15H2,1-3H3
InChIKeyFDFVJEINNZAUEO-UHFFFAOYSA-N
MW434.66 g/mol
LogP8.74
Rot. Bonds6

About 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol

2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol (PubChem CID 19940310) has the molecular formula C30H42O2 and a molecular weight of 434.66 g/mol. Its IUPAC name is 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
PubChem CID19940310
Molecular FormulaC30H42O2
Molecular Weight434.66 g/mol
Exact Mass434.32
IUPAC Name2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
SMILESCCCC(c1cc(C)c(O)c(C2CCCCC2)c1)c1cc(C)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C30H42O2/c1-4-11-26(24-16-20(2)29(31)27(18-24)22-12-7-5-8-13-22)25-17-21(3)30(32)28(19-25)23-14-9-6-10-15-23/h16-19,22-23,26,31-32H,4-15H2,1-3H3
InChIKeyFDFVJEINNZAUEO-UHFFFAOYSA-N
XLogP8.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 58.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol?
The IUPAC name of 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol (CID 19940310) is 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol.
What is the SMILES notation for 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol?
The canonical SMILES for 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol is CCCC(c1cc(C)c(O)c(C2CCCCC2)c1)c1cc(C)c(O)c(C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol?
The InChIKey is FDFVJEINNZAUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O2/c1-4-11-26(24-16-20(2)29(31)27(18-24)22-12-7-5-8-13-22)25-17-21(3)30(32)28(19-25)23-14-9-6-10-15-23/h16-19,22-23,26,31-32H,4-15H2,1-3H3.
What are the key properties of 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol?
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol has a molecular weight of 434.66 g/mol, XLogP of 8.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol is sourced from PubChem (CID 19940310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).