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

C25H28O2 — CID 21020630

IUPAC4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol
SMILESCc1ccccc1C(C)(c1cc(C)c(O)c(C)c1)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C25H28O2/c1-15-9-7-8-10-22(15)25(6,20-11-16(2)23(26)17(3)12-20)21-13-18(4)24(27)19(5)14-21/h7-14,26-27H,1-6H3
InChIKeyBQBGOCHIACFCTL-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.99
Rot. Bonds3

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

4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol (PubChem CID 21020630) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol
PubChem CID21020630
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol
SMILESCc1ccccc1C(C)(c1cc(C)c(O)c(C)c1)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C25H28O2/c1-15-9-7-8-10-22(15)25(6,20-11-16(2)23(26)17(3)12-20)21-13-18(4)24(27)19(5)14-21/h7-14,26-27H,1-6H3
InChIKeyBQBGOCHIACFCTL-UHFFFAOYSA-N
XLogP5.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol
CID 21277070
2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol
CID 70521659
2,6-dimethyl-4-[2,2,2-trifluoro-1-(2-fluorophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol
CID 141280723
2-tert-butyl-6-methylphenol
CID 16678
4-(2-aminopropan-2-yl)-2,6-dimethylphenol
CID 23620728
2-[1-[4-[1,1-bis(2-sulfanylphenyl)ethyl]phenyl]-1-(2-methylphenyl)ethyl]benzenethiol
CID 155358414
2-tert-butyl-6-methylphenol;methane
CID 159779150
2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol
CID 20520008
2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 141474948
cumene;bis(2,6-dimethyl-4-propan-2-ylphenol);4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 143666287
2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid
CID 70427385
2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol
CID 121304104

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol (CID 21020630) is 4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol is Cc1ccccc1C(C)(c1cc(C)c(O)c(C)c1)c1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol?
The InChIKey is BQBGOCHIACFCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-15-9-7-8-10-22(15)25(6,20-11-16(2)23(26)17(3)12-20)21-13-18(4)24(27)19(5)14-21/h7-14,26-27H,1-6H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol?
4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol has a molecular weight of 360.50 g/mol, XLogP of 5.99, 3 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)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol is sourced from PubChem (CID 21020630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).