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

C53H60O6 — CID 90971466

IUPAC2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol
SMILESCCc1cc(C(c2cc(CC)c(O)cc2C)c2cc(Cc3cc(C)c(O)c(C(c4cc(CC)c(O)cc4C)c4cc(CC)c(O)cc4C)c3)cc(C)c2O)c(C)cc1O
InChIInChI=1S/C53H60O6/c1-11-36-24-40(28(5)17-46(36)54)50(41-25-37(12-2)47(55)18-29(41)6)44-22-34(15-32(9)52(44)58)21-35-16-33(10)53(59)45(23-35)51(42-26-38(13-3)48(56)19-30(42)7)43-27-39(14-4)49(57)20-31(43)8/h15-20,22-27,50-51,54-59H,11-14,21H2,1-10H3
InChIKeySOLDBYRCOIDHTI-UHFFFAOYSA-N
MW793.06 g/mol
LogP11.97
Rot. Bonds12

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

2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol (PubChem CID 90971466) has the molecular formula C53H60O6 and a molecular weight of 793.06 g/mol. Its IUPAC name is 2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol
PubChem CID90971466
Molecular FormulaC53H60O6
Molecular Weight793.06 g/mol
Exact Mass792.44
IUPAC Name2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol
SMILESCCc1cc(C(c2cc(CC)c(O)cc2C)c2cc(Cc3cc(C)c(O)c(C(c4cc(CC)c(O)cc4C)c4cc(CC)c(O)cc4C)c3)cc(C)c2O)c(C)cc1O
InChIInChI=1S/C53H60O6/c1-11-36-24-40(28(5)17-46(36)54)50(41-25-37(12-2)47(55)18-29(41)6)44-22-34(15-32(9)52(44)58)21-35-16-33(10)53(59)45(23-35)51(42-26-38(13-3)48(56)19-30(42)7)43-27-39(14-4)49(57)20-31(43)8/h15-20,22-27,50-51,54-59H,11-14,21H2,1-10H3
InChIKeySOLDBYRCOIDHTI-UHFFFAOYSA-N
XLogP11.97
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500793.06
LogP ≤ 511.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-(1-hydroxyethyl)-5-methylphenol
CID 117278450
2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117300050
2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol
CID 153496913
4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 22999667
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
2-(2-amino-1-hydroxyethyl)-4-ethyl-6-methylphenol
CID 83879423
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
4-amino-2-ethyl-5-methylphenol
CID 105429592
1-ethyl-5-methyl-2,4-di(propan-2-yl)benzene
CID 18711823
ethane;4-ethyl-2,6-dimethylphenol
CID 143343408
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490

Frequently Asked Questions

What is the IUPAC name of 2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol?
The IUPAC name of 2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol (CID 90971466) is 2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol.
What is the SMILES notation for 2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol?
The canonical SMILES for 2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol is CCc1cc(C(c2cc(CC)c(O)cc2C)c2cc(Cc3cc(C)c(O)c(C(c4cc(CC)c(O)cc4C)c4cc(CC)c(O)cc4C)c3)cc(C)c2O)c(C)cc1O.
What is the InChIKey of 2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol?
The InChIKey is SOLDBYRCOIDHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H60O6/c1-11-36-24-40(28(5)17-46(36)54)50(41-25-37(12-2)47(55)18-29(41)6)44-22-34(15-32(9)52(44)58)21-35-16-33(10)53(59)45(23-35)51(42-26-38(13-3)48(56)19-30(42)7)43-27-39(14-4)49(57)20-31(43)8/h15-20,22-27,50-51,54-59H,11-14,21H2,1-10H3.
What are the key properties of 2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol?
2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol has a molecular weight of 793.06 g/mol, XLogP of 11.97, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-ethyl-4-hydroxy-2-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol is sourced from PubChem (CID 90971466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).