2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol

C55H72O4 — CID 138655114

IUPAC2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol
SMILESCOCCCOc1c(-c2cc(C)cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)cc(C)cc1-c1cc(C)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1O
InChIInChI=1S/C55H72O4/c1-30(2)39-26-41(32(5)6)51(42(27-39)33(7)8)49-24-36(13)20-45(53(49)56)47-22-38(15)23-48(55(47)59-19-17-18-58-16)46-21-37(14)25-50(54(46)57)52-43(34(9)10)28-40(31(3)4)29-44(52)35(11)12/h20-35,56-57H,17-19H2,1-16H3
InChIKeyAZPIUUVJAVKKTF-UHFFFAOYSA-N
MW797.18 g/mol
LogP15.85
Rot. Bonds15

About 2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol

2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol (PubChem CID 138655114) has the molecular formula C55H72O4 and a molecular weight of 797.18 g/mol. Its IUPAC name is 2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol.

Molecular Properties

Compound Name2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol
PubChem CID138655114
Molecular FormulaC55H72O4
Molecular Weight797.18 g/mol
Exact Mass796.54
IUPAC Name2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol
SMILESCOCCCOc1c(-c2cc(C)cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)cc(C)cc1-c1cc(C)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1O
InChIInChI=1S/C55H72O4/c1-30(2)39-26-41(32(5)6)51(42(27-39)33(7)8)49-24-36(13)20-45(53(49)56)47-22-38(15)23-48(55(47)59-19-17-18-58-16)46-21-37(14)25-50(54(46)57)52-43(34(9)10)28-40(31(3)4)29-44(52)35(11)12/h20-35,56-57H,17-19H2,1-16H3
InChIKeyAZPIUUVJAVKKTF-UHFFFAOYSA-N
XLogP15.85
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.18
LogP ≤ 515.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol with MolForge

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Related Compounds

2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol
CID 134225808
2-(3,5-dimethylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 123164700
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
CID 90397544
4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate
CID 132850801
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
4-sulfanyl-3,5-bis[2,4,6-tri(propan-2-yl)phenyl]phenol
CID 101134255
diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 118584328
2-(2-hydroxy-3-methoxy-5-methylphenyl)-3,4-dimethyl-6-propan-2-ylphenol
CID 118540927
2-[2-[6-[2-[2-methoxy-5-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(2-propan-2-ylphenyl)phenol
CID 154622879
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene
CID 91568727

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol?
The IUPAC name of 2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol (CID 138655114) is 2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol.
What is the SMILES notation for 2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol?
The canonical SMILES for 2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol is COCCCOc1c(-c2cc(C)cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)cc(C)cc1-c1cc(C)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1O.
What is the InChIKey of 2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol?
The InChIKey is AZPIUUVJAVKKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H72O4/c1-30(2)39-26-41(32(5)6)51(42(27-39)33(7)8)49-24-36(13)20-45(53(49)56)47-22-38(15)23-48(55(47)59-19-17-18-58-16)46-21-37(14)25-50(54(46)57)52-43(34(9)10)28-40(31(3)4)29-44(52)35(11)12/h20-35,56-57H,17-19H2,1-16H3.
What are the key properties of 2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol?
2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol has a molecular weight of 797.18 g/mol, XLogP of 15.85, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol is sourced from PubChem (CID 138655114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).