2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol

C27H36O2 — CID 141264792

IUPAC2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol
SMILESCC(Cc1ccc(O)c(C2CCCCC2)c1)c1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C27H36O2/c1-19(23-13-15-27(29)25(18-23)22-10-6-3-7-11-22)16-20-12-14-26(28)24(17-20)21-8-4-2-5-9-21/h12-15,17-19,21-22,28-29H,2-11,16H2,1H3
InChIKeyHPXXAFZRMLEQTG-UHFFFAOYSA-N
MW392.58 g/mol
LogP7.54
Rot. Bonds5

About 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol

2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol (PubChem CID 141264792) has the molecular formula C27H36O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol
PubChem CID141264792
Molecular FormulaC27H36O2
Molecular Weight392.58 g/mol
Exact Mass392.27
IUPAC Name2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol
SMILESCC(Cc1ccc(O)c(C2CCCCC2)c1)c1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C27H36O2/c1-19(23-13-15-27(29)25(18-23)22-10-6-3-7-11-22)16-20-12-14-26(28)24(17-20)21-8-4-2-5-9-21/h12-15,17-19,21-22,28-29H,2-11,16H2,1H3
InChIKeyHPXXAFZRMLEQTG-UHFFFAOYSA-N
XLogP7.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol?
The IUPAC name of 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol (CID 141264792) is 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol.
What is the SMILES notation for 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol?
The canonical SMILES for 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol is CC(Cc1ccc(O)c(C2CCCCC2)c1)c1ccc(O)c(C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol?
The InChIKey is HPXXAFZRMLEQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2/c1-19(23-13-15-27(29)25(18-23)22-10-6-3-7-11-22)16-20-12-14-26(28)24(17-20)21-8-4-2-5-9-21/h12-15,17-19,21-22,28-29H,2-11,16H2,1H3.
What are the key properties of 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol?
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol has a molecular weight of 392.58 g/mol, XLogP of 7.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol is sourced from PubChem (CID 141264792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).