2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol

C27H32O3 — CID 139748783

IUPAC2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol
SMILESCc1cc(Cc2c(C)cc(O)c(C)c2C)c(O)c(Cc2c(C)cc(C)c(C)c2O)c1
InChIInChI=1S/C27H32O3/c1-14-8-21(12-23-17(4)11-25(28)20(7)19(23)6)27(30)22(9-14)13-24-16(3)10-15(2)18(5)26(24)29/h8-11,28-30H,12-13H2,1-7H3
InChIKeyJBKYHSRRUNTMIX-UHFFFAOYSA-N
MW404.55 g/mol
LogP6.14
Rot. Bonds4

About 2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol

2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol (PubChem CID 139748783) has the molecular formula C27H32O3 and a molecular weight of 404.55 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol
PubChem CID139748783
Molecular FormulaC27H32O3
Molecular Weight404.55 g/mol
Exact Mass404.24
IUPAC Name2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol
SMILESCc1cc(Cc2c(C)cc(O)c(C)c2C)c(O)c(Cc2c(C)cc(C)c(C)c2O)c1
InChIInChI=1S/C27H32O3/c1-14-8-21(12-23-17(4)11-25(28)20(7)19(23)6)27(30)22(9-14)13-24-16(3)10-15(2)18(5)26(24)29/h8-11,28-30H,12-13H2,1-7H3
InChIKeyJBKYHSRRUNTMIX-UHFFFAOYSA-N
XLogP6.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol
CID 18336098
2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane
CID 90702119
1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one
CID 117114980
2-(2-hydroxyethyl)-3,5,6-trimethylphenol
CID 117114395
3-(4-hydroxy-2,3,6-trimethylphenyl)propanal
CID 117117751
2,3,5-trimethylphenol;2,3,6-trimethylphenol
CID 70540570
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol
CID 15095946
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525
2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol
CID 88558990
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol?
The IUPAC name of 2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol (CID 139748783) is 2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol.
What is the SMILES notation for 2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol?
The canonical SMILES for 2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol is Cc1cc(Cc2c(C)cc(O)c(C)c2C)c(O)c(Cc2c(C)cc(C)c(C)c2O)c1.
What is the InChIKey of 2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol?
The InChIKey is JBKYHSRRUNTMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O3/c1-14-8-21(12-23-17(4)11-25(28)20(7)19(23)6)27(30)22(9-14)13-24-16(3)10-15(2)18(5)26(24)29/h8-11,28-30H,12-13H2,1-7H3.
What are the key properties of 2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol?
2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol has a molecular weight of 404.55 g/mol, XLogP of 6.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-5-methylphenyl]methyl]-3,5,6-trimethylphenol is sourced from PubChem (CID 139748783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).