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

C25H28O2 — CID 110175378

IUPAC4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
SMILESCc1ccc(C)c(C(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C25H28O2/c1-14-7-8-15(2)22(9-14)23(20-10-16(3)24(26)17(4)11-20)21-12-18(5)25(27)19(6)13-21/h7-13,23,26-27H,1-6H3
InChIKeyPCFCFPHHTVIMDA-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.13
Rot. Bonds3

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

4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol (PubChem CID 110175378) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
PubChem CID110175378
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
SMILESCc1ccc(C)c(C(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C25H28O2/c1-14-7-8-15(2)22(9-14)23(20-10-16(3)24(26)17(4)11-20)21-12-18(5)25(27)19(6)13-21/h7-13,23,26-27H,1-6H3
InChIKeyPCFCFPHHTVIMDA-UHFFFAOYSA-N
XLogP6.13
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 ≤ 56.13
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-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol
CID 69478523
4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 118667410
2,6-bis[bis(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol
CID 86179554
1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 20684551
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103310547
4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;nitromethane
CID 139145272
2-[bis(4-methylphenyl)methyl]-5-methylphenol
CID 21115451
dimethylamino-(2,5-dimethylphenyl)methanol
CID 116909513
benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol
CID 159315795
(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437609

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol (CID 110175378) is 4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol is Cc1ccc(C)c(C(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol?
The InChIKey is PCFCFPHHTVIMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-14-7-8-15(2)22(9-14)23(20-10-16(3)24(26)17(4)11-20)21-12-18(5)25(27)19(6)13-21/h7-13,23,26-27H,1-6H3.
What are the key properties of 4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol?
4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol has a molecular weight of 360.50 g/mol, XLogP of 6.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 110175378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).