4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol

C26H30O2 — CID 88656560

IUPAC4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2c(C)c(C)c(Cc3ccc(O)cc3)c(C)c2C)cc(C)c1O
InChIInChI=1S/C26H30O2/c1-15-11-22(12-16(2)26(15)28)14-25-19(5)17(3)24(18(4)20(25)6)13-21-7-9-23(27)10-8-21/h7-12,27-28H,13-14H2,1-6H3
InChIKeyURBIVLVQUJXRCT-UHFFFAOYSA-N
MW374.52 g/mol
LogP6.13
Rot. Bonds4

About 4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol

4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol (PubChem CID 88656560) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol
PubChem CID88656560
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2c(C)c(C)c(Cc3ccc(O)cc3)c(C)c2C)cc(C)c1O
InChIInChI=1S/C26H30O2/c1-15-11-22(12-16(2)26(15)28)14-25-19(5)17(3)24(18(4)20(25)6)13-21-7-9-23(27)10-8-21/h7-12,27-28H,13-14H2,1-6H3
InChIKeyURBIVLVQUJXRCT-UHFFFAOYSA-N
XLogP6.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol (CID 88656560) is 4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol is Cc1cc(Cc2c(C)c(C)c(Cc3ccc(O)cc3)c(C)c2C)cc(C)c1O.
What is the InChIKey of 4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol?
The InChIKey is URBIVLVQUJXRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-15-11-22(12-16(2)26(15)28)14-25-19(5)17(3)24(18(4)20(25)6)13-21-7-9-23(27)10-8-21/h7-12,27-28H,13-14H2,1-6H3.
What are the key properties of 4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol?
4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol has a molecular weight of 374.52 g/mol, XLogP of 6.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 88656560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).