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

C28H36O2 — CID 139959734

IUPAC2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(C4CCCC4)c3)CCCCC2)cc1C1CCCC1
InChIInChI=1S/C28H36O2/c29-26-14-12-22(18-24(26)20-8-2-3-9-20)28(16-6-1-7-17-28)23-13-15-27(30)25(19-23)21-10-4-5-11-21/h12-15,18-21,29-30H,1-11,16-17H2
InChIKeyAPWIVNJWJNNHJP-UHFFFAOYSA-N
MW404.59 g/mol
LogP7.66
Rot. Bonds4

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

2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol (PubChem CID 139959734) has the molecular formula C28H36O2 and a molecular weight of 404.59 g/mol. Its IUPAC name is 2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol
PubChem CID139959734
Molecular FormulaC28H36O2
Molecular Weight404.59 g/mol
Exact Mass404.27
IUPAC Name2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(C4CCCC4)c3)CCCCC2)cc1C1CCCC1
InChIInChI=1S/C28H36O2/c29-26-14-12-22(18-24(26)20-8-2-3-9-20)28(16-6-1-7-17-28)23-13-15-27(30)25(19-23)21-10-4-5-11-21/h12-15,18-21,29-30H,1-11,16-17H2
InChIKeyAPWIVNJWJNNHJP-UHFFFAOYSA-N
XLogP7.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.59
LogP ≤ 57.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol?
The IUPAC name of 2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol (CID 139959734) is 2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol.
What is the SMILES notation for 2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol?
The canonical SMILES for 2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol is Oc1ccc(C2(c3ccc(O)c(C4CCCC4)c3)CCCCC2)cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol?
The InChIKey is APWIVNJWJNNHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O2/c29-26-14-12-22(18-24(26)20-8-2-3-9-20)28(16-6-1-7-17-28)23-13-15-27(30)25(19-23)21-10-4-5-11-21/h12-15,18-21,29-30H,1-11,16-17H2.
What are the key properties of 2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol?
2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol has a molecular weight of 404.59 g/mol, XLogP of 7.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol is sourced from PubChem (CID 139959734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).