4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol

C28H36O2 — CID 58381656

IUPAC4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol
SMILESOc1ccc(C(=C(CCCCC2CCCC2)C2CCCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H36O2/c29-25-17-13-23(14-18-25)28(24-15-19-26(30)20-16-24)27(22-10-4-5-11-22)12-6-3-9-21-7-1-2-8-21/h13-22,29-30H,1-12H2
InChIKeyPVYFILDQOIRWPH-UHFFFAOYSA-N
MW404.59 g/mol
LogP7.84
Rot. Bonds8

About 4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol

4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol (PubChem CID 58381656) has the molecular formula C28H36O2 and a molecular weight of 404.59 g/mol. Its IUPAC name is 4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol.

Molecular Properties

Compound Name4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol
PubChem CID58381656
Molecular FormulaC28H36O2
Molecular Weight404.59 g/mol
Exact Mass404.27
IUPAC Name4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol
SMILESOc1ccc(C(=C(CCCCC2CCCC2)C2CCCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H36O2/c29-25-17-13-23(14-18-25)28(24-15-19-26(30)20-16-24)27(22-10-4-5-11-22)12-6-3-9-21-7-1-2-8-21/h13-22,29-30H,1-12H2
InChIKeyPVYFILDQOIRWPH-UHFFFAOYSA-N
XLogP7.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.59
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol?
The IUPAC name of 4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol (CID 58381656) is 4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol.
What is the SMILES notation for 4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol?
The canonical SMILES for 4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol is Oc1ccc(C(=C(CCCCC2CCCC2)C2CCCC2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol?
The InChIKey is PVYFILDQOIRWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O2/c29-25-17-13-23(14-18-25)28(24-15-19-26(30)20-16-24)27(22-10-4-5-11-22)12-6-3-9-21-7-1-2-8-21/h13-22,29-30H,1-12H2.
What are the key properties of 4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol?
4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol has a molecular weight of 404.59 g/mol, XLogP of 7.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol is sourced from PubChem (CID 58381656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).