4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol

C31H32O4 — CID 15965769

IUPAC4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
SMILESCc1cc(Cc2cc(Cc3cc(C)c(O)c(Cc4ccc(O)c(C)c4)c3)cc(C)c2O)ccc1O
InChIInChI=1S/C31H32O4/c1-18-9-22(5-7-28(18)32)14-26-16-24(11-20(3)30(26)34)13-25-12-21(4)31(35)27(17-25)15-23-6-8-29(33)19(2)10-23/h5-12,16-17,32-35H,13-15H2,1-4H3
InChIKeyCMFWLZDKGQYLCW-UHFFFAOYSA-N
MW468.59 g/mol
LogP6.52
Rot. Bonds6

About 4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol

4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol (PubChem CID 15965769) has the molecular formula C31H32O4 and a molecular weight of 468.59 g/mol. Its IUPAC name is 4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol.

Molecular Properties

Compound Name4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
PubChem CID15965769
Molecular FormulaC31H32O4
Molecular Weight468.59 g/mol
Exact Mass468.23
IUPAC Name4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
SMILESCc1cc(Cc2cc(Cc3cc(C)c(O)c(Cc4ccc(O)c(C)c4)c3)cc(C)c2O)ccc1O
InChIInChI=1S/C31H32O4/c1-18-9-22(5-7-28(18)32)14-26-16-24(11-20(3)30(26)34)13-25-12-21(4)31(35)27(17-25)15-23-6-8-29(33)19(2)10-23/h5-12,16-17,32-35H,13-15H2,1-4H3
InChIKeyCMFWLZDKGQYLCW-UHFFFAOYSA-N
XLogP6.52
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 56.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol with MolForge

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Related Compounds

2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 22925864
sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide
CID 160639309
2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol
CID 144564644
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol
CID 58205477
2-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-[[3-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol
CID 68895070
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159058899
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol?
The IUPAC name of 4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol (CID 15965769) is 4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol.
What is the SMILES notation for 4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol?
The canonical SMILES for 4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol is Cc1cc(Cc2cc(Cc3cc(C)c(O)c(Cc4ccc(O)c(C)c4)c3)cc(C)c2O)ccc1O.
What is the InChIKey of 4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol?
The InChIKey is CMFWLZDKGQYLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O4/c1-18-9-22(5-7-28(18)32)14-26-16-24(11-20(3)30(26)34)13-25-12-21(4)31(35)27(17-25)15-23-6-8-29(33)19(2)10-23/h5-12,16-17,32-35H,13-15H2,1-4H3.
What are the key properties of 4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol?
4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol has a molecular weight of 468.59 g/mol, XLogP of 6.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol is sourced from PubChem (CID 15965769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).