2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol

C33H44O2 — CID 6455230

IUPAC2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol
SMILESOc1c(C2CCCC2)cc(Cc2cc(C3CCCC3)c(O)c(C3CCCC3)c2)cc1C1CCCC1
InChIInChI=1S/C33H44O2/c34-32-28(24-9-1-2-10-24)18-22(19-29(32)25-11-3-4-12-25)17-23-20-30(26-13-5-6-14-26)33(35)31(21-23)27-15-7-8-16-27/h18-21,24-27,34-35H,1-17H2
InChIKeyTUPXVPCNMFLLOS-UHFFFAOYSA-N
MW472.71 g/mol
LogP9.32
Rot. Bonds6

About 2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol

2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol (PubChem CID 6455230) has the molecular formula C33H44O2 and a molecular weight of 472.71 g/mol. Its IUPAC name is 2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol
PubChem CID6455230
Molecular FormulaC33H44O2
Molecular Weight472.71 g/mol
Exact Mass472.33
IUPAC Name2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol
SMILESOc1c(C2CCCC2)cc(Cc2cc(C3CCCC3)c(O)c(C3CCCC3)c2)cc1C1CCCC1
InChIInChI=1S/C33H44O2/c34-32-28(24-9-1-2-10-24)18-22(19-29(32)25-11-3-4-12-25)17-23-20-30(26-13-5-6-14-26)33(35)31(21-23)27-15-7-8-16-27/h18-21,24-27,34-35H,1-17H2
InChIKeyTUPXVPCNMFLLOS-UHFFFAOYSA-N
XLogP9.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.71
LogP ≤ 59.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Magnolol
CID 72300
Honokiol
CID 72303
2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
CID 6928
2,2'-Methylenebis(4-methyl-6-tert-butylphenol)
CID 8398
4,4'-Isopropylidenedi-2,6-xylol
CID 79717
4,4'-Methylenebis(2,6-di-tert-butylphenol)
CID 8372
4,4'-Methylenebis(2,6-dimethylphenol)
CID 79345
4,4'-Bis(2,6-di-tert-butylphenol)
CID 67185
2,2'-Ethylidenebis(4,6-di-tert-butylphenol)
CID 118899
2-(2-Hydroxy-5-propylphenyl)-4-propylphenol
CID 5321851
2,2'-Methylenebis(4-methyl-6-nonylphenol)
CID 24582
2,2-Bis(4-hydroxy-3-tert-butylphenyl)propane
CID 66237

Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol (CID 6455230) is 2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol is Oc1c(C2CCCC2)cc(Cc2cc(C3CCCC3)c(O)c(C3CCCC3)c2)cc1C1CCCC1.
What is the InChIKey of 2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol?
The InChIKey is TUPXVPCNMFLLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44O2/c34-32-28(24-9-1-2-10-24)18-22(19-29(32)25-11-3-4-12-25)17-23-20-30(26-13-5-6-14-26)33(35)31(21-23)27-15-7-8-16-27/h18-21,24-27,34-35H,1-17H2.
What are the key properties of 2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol?
2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol has a molecular weight of 472.71 g/mol, XLogP of 9.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dicyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 6455230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).