4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol

C89H100O7 — CID 87854608

IUPAC4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol
SMILESCC(C)c1cccc(Cc2cc(C(C)(c3ccc(C(C)(C)c4cc(Cc5cc(C(C)C)ccc5O)c(O)c(Cc5cc(C(C)C)ccc5O)c4)cc3)c3cc(Cc4cccc(C(C)C)c4)c(O)c(Cc4cc(C(C)C)ccc4O)c3)cc(Cc3cc(C(C)C)ccc3O)c2O)c1
InChIInChI=1S/C89H100O7/c1-52(2)60-20-16-18-58(34-60)36-70-48-79(50-74(85(70)94)44-68-40-64(56(9)10)24-32-83(68)92)89(15,80-49-71(37-59-19-17-21-61(35-59)53(3)4)86(95)75(51-80)45-69-41-65(57(11)12)25-33-84(69)93)77-28-26-76(27-29-77)88(13,14)78-46-72(42-66-38-62(54(5)6)22-30-81(66)90)87(96)73(47-78)43-67-39-63(55(7)8)23-31-82(67)91/h16-35,38-41,46-57,90-96H,36-37,42-45H2,1-15H3
InChIKeyCNSUHKWLIFRSAB-UHFFFAOYSA-N
MW1281.77 g/mol
LogP21.59
Rot. Bonds23

About 4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol

4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol (PubChem CID 87854608) has the molecular formula C89H100O7 and a molecular weight of 1281.77 g/mol. Its IUPAC name is 4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol
PubChem CID87854608
Molecular FormulaC89H100O7
Molecular Weight1281.77 g/mol
Exact Mass1280.75
IUPAC Name4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol
SMILESCC(C)c1cccc(Cc2cc(C(C)(c3ccc(C(C)(C)c4cc(Cc5cc(C(C)C)ccc5O)c(O)c(Cc5cc(C(C)C)ccc5O)c4)cc3)c3cc(Cc4cccc(C(C)C)c4)c(O)c(Cc4cc(C(C)C)ccc4O)c3)cc(Cc3cc(C(C)C)ccc3O)c2O)c1
InChIInChI=1S/C89H100O7/c1-52(2)60-20-16-18-58(34-60)36-70-48-79(50-74(85(70)94)44-68-40-64(56(9)10)24-32-83(68)92)89(15,80-49-71(37-59-19-17-21-61(35-59)53(3)4)86(95)75(51-80)45-69-41-65(57(11)12)25-33-84(69)93)77-28-26-76(27-29-77)88(13,14)78-46-72(42-66-38-62(54(5)6)22-30-81(66)90)87(96)73(47-78)43-67-39-63(55(7)8)23-31-82(67)91/h16-35,38-41,46-57,90-96H,36-37,42-45H2,1-15H3
InChIKeyCNSUHKWLIFRSAB-UHFFFAOYSA-N
XLogP21.59
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001281.77
LogP ≤ 521.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol with MolForge

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Related Compounds

4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 22743719
4-[2-[4-[1-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-1-[4-hydroxy-3-(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol
CID 157433719
4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol
CID 143901395
4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 172738115
2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol
CID 174614895
2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol
CID 117296704
2-[[3-[2-[3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]propan-2-yl]-5-[(2-hydroxy-5-methylphenyl)methyl]phenyl]methyl]-4-methylphenol
CID 155168714
2-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-[[3-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol
CID 68895070
4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 18949647
2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-methylphenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)benzoic acid
CID 19855774
3-benzyl-5-[bis(4-propan-2-ylphenyl)methyl]-2-hydroxybenzoic acid
CID 139751253
4-benzyl-6-[(4-hydroxy-3-propan-2-ylphenyl)methyl]benzene-1,2,3-triol
CID 58626406

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol?
The IUPAC name of 4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol (CID 87854608) is 4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol.
What is the SMILES notation for 4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol?
The canonical SMILES for 4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol is CC(C)c1cccc(Cc2cc(C(C)(c3ccc(C(C)(C)c4cc(Cc5cc(C(C)C)ccc5O)c(O)c(Cc5cc(C(C)C)ccc5O)c4)cc3)c3cc(Cc4cccc(C(C)C)c4)c(O)c(Cc4cc(C(C)C)ccc4O)c3)cc(Cc3cc(C(C)C)ccc3O)c2O)c1.
What is the InChIKey of 4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol?
The InChIKey is CNSUHKWLIFRSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H100O7/c1-52(2)60-20-16-18-58(34-60)36-70-48-79(50-74(85(70)94)44-68-40-64(56(9)10)24-32-83(68)92)89(15,80-49-71(37-59-19-17-21-61(35-59)53(3)4)86(95)75(51-80)45-69-41-65(57(11)12)25-33-84(69)93)77-28-26-76(27-29-77)88(13,14)78-46-72(42-66-38-62(54(5)6)22-30-81(66)90)87(96)73(47-78)43-67-39-63(55(7)8)23-31-82(67)91/h16-35,38-41,46-57,90-96H,36-37,42-45H2,1-15H3.
What are the key properties of 4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol?
4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol has a molecular weight of 1281.77 g/mol, XLogP of 21.59, 23 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol is sourced from PubChem (CID 87854608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).