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

C27H32O3 — CID 134464799

IUPAC2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
SMILESCCc1cc(Cc2cc(C)cc(Cc3cc(C)c(O)c(CC)c3)c2O)cc(C)c1O
InChIInChI=1S/C27H32O3/c1-6-21-12-19(10-17(4)25(21)28)14-23-8-16(3)9-24(27(23)30)15-20-11-18(5)26(29)22(7-2)13-20/h8-13,28-30H,6-7,14-15H2,1-5H3
InChIKeyWMOOWSAGOUIUGG-UHFFFAOYSA-N
MW404.55 g/mol
LogP6.04
Rot. Bonds6

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

2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol (PubChem CID 134464799) has the molecular formula C27H32O3 and a molecular weight of 404.55 g/mol. Its IUPAC name is 2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol.

Molecular Properties

Compound Name2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
PubChem CID134464799
Molecular FormulaC27H32O3
Molecular Weight404.55 g/mol
Exact Mass404.24
IUPAC Name2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
SMILESCCc1cc(Cc2cc(C)cc(Cc3cc(C)c(O)c(CC)c3)c2O)cc(C)c1O
InChIInChI=1S/C27H32O3/c1-6-21-12-19(10-17(4)25(21)28)14-23-8-16(3)9-24(27(23)30)15-20-11-18(5)26(29)22(7-2)13-20/h8-13,28-30H,6-7,14-15H2,1-5H3
InChIKeyWMOOWSAGOUIUGG-UHFFFAOYSA-N
XLogP6.04
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 56.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
carbanide;2-[[5-[[5-[[5-[[3-[(5-ethyl-2-hydroxy-3-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-4,6-dimethylphenol;bis(titanium(2+))
CID 59071786
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 22999667
2-[(3-ethyl-2-hydroxy-5-octylphenyl)methyl]-6-methyl-4-pentylphenol
CID 20741015
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 20750468
2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 22925864
4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 15965769
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 22925753

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol?
The IUPAC name of 2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol (CID 134464799) is 2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol.
What is the SMILES notation for 2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol?
The canonical SMILES for 2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol is CCc1cc(Cc2cc(C)cc(Cc3cc(C)c(O)c(CC)c3)c2O)cc(C)c1O.
What is the InChIKey of 2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol?
The InChIKey is WMOOWSAGOUIUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O3/c1-6-21-12-19(10-17(4)25(21)28)14-23-8-16(3)9-24(27(23)30)15-20-11-18(5)26(29)22(7-2)13-20/h8-13,28-30H,6-7,14-15H2,1-5H3.
What are the key properties of 2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol?
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol has a molecular weight of 404.55 g/mol, XLogP of 6.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol is sourced from PubChem (CID 134464799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).