2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol

C32H44O2 — CID 57059812

IUPAC2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(C4CCCCC4)c3)CCCCCCC2)cc1C1CCCCC1
InChIInChI=1S/C32H44O2/c33-30-18-16-26(22-28(30)24-12-6-4-7-13-24)32(20-10-2-1-3-11-21-32)27-17-19-31(34)29(23-27)25-14-8-5-9-15-25/h16-19,22-25,33-34H,1-15,20-21H2
InChIKeyALPWBCJGRVYMHP-UHFFFAOYSA-N
MW460.70 g/mol
LogP9.22
Rot. Bonds4

About 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol

2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol (PubChem CID 57059812) has the molecular formula C32H44O2 and a molecular weight of 460.70 g/mol. Its IUPAC name is 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol
PubChem CID57059812
Molecular FormulaC32H44O2
Molecular Weight460.70 g/mol
Exact Mass460.33
IUPAC Name2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(C4CCCCC4)c3)CCCCCCC2)cc1C1CCCCC1
InChIInChI=1S/C32H44O2/c33-30-18-16-26(22-28(30)24-12-6-4-7-13-24)32(20-10-2-1-3-11-21-32)27-17-19-31(34)29(23-27)25-14-8-5-9-15-25/h16-19,22-25,33-34H,1-15,20-21H2
InChIKeyALPWBCJGRVYMHP-UHFFFAOYSA-N
XLogP9.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.70
LogP ≤ 59.22
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-hydroxyphenyl)cyclooctyl]phenol?
The IUPAC name of 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol (CID 57059812) is 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol.
What is the SMILES notation for 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol?
The canonical SMILES for 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol is Oc1ccc(C2(c3ccc(O)c(C4CCCCC4)c3)CCCCCCC2)cc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol?
The InChIKey is ALPWBCJGRVYMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44O2/c33-30-18-16-26(22-28(30)24-12-6-4-7-13-24)32(20-10-2-1-3-11-21-32)27-17-19-31(34)29(23-27)25-14-8-5-9-15-25/h16-19,22-25,33-34H,1-15,20-21H2.
What are the key properties of 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol?
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol has a molecular weight of 460.70 g/mol, XLogP of 9.22, 4 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-hydroxyphenyl)cyclooctyl]phenol is sourced from PubChem (CID 57059812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).