2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol

C26H34O2 — CID 71380266

IUPAC2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
SMILESCc1cc(CCc2cc(C)cc(C3CCCC3)c2O)c(O)c(C2CCCC2)c1
InChIInChI=1S/C26H34O2/c1-17-13-21(25(27)23(15-17)19-7-3-4-8-19)11-12-22-14-18(2)16-24(26(22)28)20-9-5-6-10-20/h13-16,19-20,27-28H,3-12H2,1-2H3
InChIKeyUZTQKQITHVQGOI-UHFFFAOYSA-N
MW378.56 g/mol
LogP6.82
Rot. Bonds5

About 2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol

2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol (PubChem CID 71380266) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
PubChem CID71380266
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
SMILESCc1cc(CCc2cc(C)cc(C3CCCC3)c2O)c(O)c(C2CCCC2)c1
InChIInChI=1S/C26H34O2/c1-17-13-21(25(27)23(15-17)19-7-3-4-8-19)11-12-22-14-18(2)16-24(26(22)28)20-9-5-6-10-20/h13-16,19-20,27-28H,3-12H2,1-2H3
InChIKeyUZTQKQITHVQGOI-UHFFFAOYSA-N
XLogP6.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol?
The IUPAC name of 2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol (CID 71380266) is 2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol.
What is the SMILES notation for 2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol?
The canonical SMILES for 2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol is Cc1cc(CCc2cc(C)cc(C3CCCC3)c2O)c(O)c(C2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol?
The InChIKey is UZTQKQITHVQGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2/c1-17-13-21(25(27)23(15-17)19-7-3-4-8-19)11-12-22-14-18(2)16-24(26(22)28)20-9-5-6-10-20/h13-16,19-20,27-28H,3-12H2,1-2H3.
What are the key properties of 2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol?
2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol has a molecular weight of 378.56 g/mol, XLogP of 6.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol is sourced from PubChem (CID 71380266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).