4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol

C34H38O3 — CID 152642157

IUPAC4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol
SMILESCc1c(Cc2ccc(O)cc2)c(C)c(Cc2ccc(O)c(C(C)(C)C)c2)c(C)c1Cc1ccc(O)cc1
InChIInChI=1S/C34H38O3/c1-21-29(17-24-7-12-27(35)13-8-24)22(2)31(19-26-11-16-33(37)32(20-26)34(4,5)6)23(3)30(21)18-25-9-14-28(36)15-10-25/h7-16,20,35-37H,17-19H2,1-6H3
InChIKeyZFULFZGNFMLYRT-UHFFFAOYSA-N
MW494.68 g/mol
LogP7.80
Rot. Bonds6

About 4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol

4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol (PubChem CID 152642157) has the molecular formula C34H38O3 and a molecular weight of 494.68 g/mol. Its IUPAC name is 4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol.

Molecular Properties

Compound Name4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol
PubChem CID152642157
Molecular FormulaC34H38O3
Molecular Weight494.68 g/mol
Exact Mass494.28
IUPAC Name4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol
SMILESCc1c(Cc2ccc(O)cc2)c(C)c(Cc2ccc(O)c(C(C)(C)C)c2)c(C)c1Cc1ccc(O)cc1
InChIInChI=1S/C34H38O3/c1-21-29(17-24-7-12-27(35)13-8-24)22(2)31(19-26-11-16-33(37)32(20-26)34(4,5)6)23(3)30(21)18-25-9-14-28(36)15-10-25/h7-16,20,35-37H,17-19H2,1-6H3
InChIKeyZFULFZGNFMLYRT-UHFFFAOYSA-N
XLogP7.80
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 57.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol?
The IUPAC name of 4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol (CID 152642157) is 4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol.
What is the SMILES notation for 4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol?
The canonical SMILES for 4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol is Cc1c(Cc2ccc(O)cc2)c(C)c(Cc2ccc(O)c(C(C)(C)C)c2)c(C)c1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol?
The InChIKey is ZFULFZGNFMLYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O3/c1-21-29(17-24-7-12-27(35)13-8-24)22(2)31(19-26-11-16-33(37)32(20-26)34(4,5)6)23(3)30(21)18-25-9-14-28(36)15-10-25/h7-16,20,35-37H,17-19H2,1-6H3.
What are the key properties of 4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol?
4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol has a molecular weight of 494.68 g/mol, XLogP of 7.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol is sourced from PubChem (CID 152642157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).