4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol

C26H36O2 — CID 22003359

IUPAC4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(C2(c3ccc(O)c(CC(C)C)c3)CCCCC2)ccc1O
InChIInChI=1S/C26H36O2/c1-18(2)14-20-16-22(8-10-24(20)27)26(12-6-5-7-13-26)23-9-11-25(28)21(17-23)15-19(3)4/h8-11,16-19,27-28H,5-7,12-15H2,1-4H3
InChIKeyHEWFNXBNPDPCDV-UHFFFAOYSA-N
MW380.57 g/mol
LogP6.74
Rot. Bonds6

About 4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol

4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol (PubChem CID 22003359) has the molecular formula C26H36O2 and a molecular weight of 380.57 g/mol. Its IUPAC name is 4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol.

Molecular Properties

Compound Name4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol
PubChem CID22003359
Molecular FormulaC26H36O2
Molecular Weight380.57 g/mol
Exact Mass380.27
IUPAC Name4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(C2(c3ccc(O)c(CC(C)C)c3)CCCCC2)ccc1O
InChIInChI=1S/C26H36O2/c1-18(2)14-20-16-22(8-10-24(20)27)26(12-6-5-7-13-26)23-9-11-25(28)21(17-23)15-19(3)4/h8-11,16-19,27-28H,5-7,12-15H2,1-4H3
InChIKeyHEWFNXBNPDPCDV-UHFFFAOYSA-N
XLogP6.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol?
The IUPAC name of 4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol (CID 22003359) is 4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol.
What is the SMILES notation for 4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol?
The canonical SMILES for 4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol is CC(C)Cc1cc(C2(c3ccc(O)c(CC(C)C)c3)CCCCC2)ccc1O.
What is the InChIKey of 4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol?
The InChIKey is HEWFNXBNPDPCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2/c1-18(2)14-20-16-22(8-10-24(20)27)26(12-6-5-7-13-26)23-9-11-25(28)21(17-23)15-19(3)4/h8-11,16-19,27-28H,5-7,12-15H2,1-4H3.
What are the key properties of 4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol?
4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol has a molecular weight of 380.57 g/mol, XLogP of 6.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol is sourced from PubChem (CID 22003359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).