4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol

C24H32O2 — CID 18968520

IUPAC4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol
SMILESCc1cc(C2(c3cc(C)c(O)c(C)c3)CC(C)(C)CC2C)cc(C)c1O
InChIInChI=1S/C24H32O2/c1-14-8-19(9-15(2)21(14)25)24(13-23(6,7)12-18(24)5)20-10-16(3)22(26)17(4)11-20/h8-11,18,25-26H,12-13H2,1-7H3
InChIKeyIVFGWDNGZSLXEW-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.07
Rot. Bonds2

About 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol

4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol (PubChem CID 18968520) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol
PubChem CID18968520
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol
SMILESCc1cc(C2(c3cc(C)c(O)c(C)c3)CC(C)(C)CC2C)cc(C)c1O
InChIInChI=1S/C24H32O2/c1-14-8-19(9-15(2)21(14)25)24(13-23(6,7)12-18(24)5)20-10-16(3)22(26)17(4)11-20/h8-11,18,25-26H,12-13H2,1-7H3
InChIKeyIVFGWDNGZSLXEW-UHFFFAOYSA-N
XLogP6.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol (CID 18968520) is 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol is Cc1cc(C2(c3cc(C)c(O)c(C)c3)CC(C)(C)CC2C)cc(C)c1O.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol?
The InChIKey is IVFGWDNGZSLXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2/c1-14-8-19(9-15(2)21(14)25)24(13-23(6,7)12-18(24)5)20-10-16(3)22(26)17(4)11-20/h8-11,18,25-26H,12-13H2,1-7H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol?
4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol has a molecular weight of 352.52 g/mol, XLogP of 6.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,4,4-trimethylcyclopentyl]-2,6-dimethylphenol is sourced from PubChem (CID 18968520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).