4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol

C35H48O2 — CID 6453118

IUPAC4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
SMILESCc1c(C2CCCC2)cc(C2CCCC2)c(O)c1Cc1c(C)c(C2CCCC2)cc(C2CCCC2)c1O
InChIInChI=1S/C35H48O2/c1-22-28(24-11-3-4-12-24)19-32(26-15-7-8-16-26)34(36)30(22)21-31-23(2)29(25-13-5-6-14-25)20-33(35(31)37)27-17-9-10-18-27/h19-20,24-27,36-37H,3-18,21H2,1-2H3
InChIKeyKUAITNWUCYKODM-UHFFFAOYSA-N
MW500.77 g/mol
LogP9.94
Rot. Bonds6

About 4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol

4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol (PubChem CID 6453118) has the molecular formula C35H48O2 and a molecular weight of 500.77 g/mol. Its IUPAC name is 4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol.

Molecular Properties

Compound Name4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
PubChem CID6453118
Molecular FormulaC35H48O2
Molecular Weight500.77 g/mol
Exact Mass500.37
IUPAC Name4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
SMILESCc1c(C2CCCC2)cc(C2CCCC2)c(O)c1Cc1c(C)c(C2CCCC2)cc(C2CCCC2)c1O
InChIInChI=1S/C35H48O2/c1-22-28(24-11-3-4-12-24)19-32(26-15-7-8-16-26)34(36)30(22)21-31-23(2)29(25-13-5-6-14-25)20-33(35(31)37)27-17-9-10-18-27/h19-20,24-27,36-37H,3-18,21H2,1-2H3
InChIKeyKUAITNWUCYKODM-UHFFFAOYSA-N
XLogP9.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.77
LogP ≤ 59.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol?
The IUPAC name of 4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol (CID 6453118) is 4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol.
What is the SMILES notation for 4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol?
The canonical SMILES for 4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol is Cc1c(C2CCCC2)cc(C2CCCC2)c(O)c1Cc1c(C)c(C2CCCC2)cc(C2CCCC2)c1O.
What is the InChIKey of 4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol?
The InChIKey is KUAITNWUCYKODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48O2/c1-22-28(24-11-3-4-12-24)19-32(26-15-7-8-16-26)34(36)30(22)21-31-23(2)29(25-13-5-6-14-25)20-33(35(31)37)27-17-9-10-18-27/h19-20,24-27,36-37H,3-18,21H2,1-2H3.
What are the key properties of 4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol?
4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol has a molecular weight of 500.77 g/mol, XLogP of 9.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol is sourced from PubChem (CID 6453118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).