2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol

C55H64O4 — CID 164762184

IUPAC2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol
SMILESOc1ccc(-c2cc(C3CCCCC3)c(O)c(C(c3ccccc3)c3cc(-c4ccc(O)c(C5CCCCC5)c4)cc(C4CCCCC4)c3O)c2)cc1C1CCCCC1
InChIInChI=1S/C55H64O4/c56-51-28-26-41(30-45(51)36-16-6-1-7-17-36)43-32-47(38-20-10-3-11-21-38)54(58)49(34-43)53(40-24-14-5-15-25-40)50-35-44(33-48(55(50)59)39-22-12-4-13-23-39)42-27-29-52(57)46(31-42)37-18-8-2-9-19-37/h5,14-15,24-39,53,56-59H,1-4,6-13,16-23H2
InChIKeyLLOHEFVLRQLVAH-UHFFFAOYSA-N
MW789.11 g/mol
LogP15.21
Rot. Bonds9

About 2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol

2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol (PubChem CID 164762184) has the molecular formula C55H64O4 and a molecular weight of 789.11 g/mol. Its IUPAC name is 2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol
PubChem CID164762184
Molecular FormulaC55H64O4
Molecular Weight789.11 g/mol
Exact Mass788.48
IUPAC Name2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol
SMILESOc1ccc(-c2cc(C3CCCCC3)c(O)c(C(c3ccccc3)c3cc(-c4ccc(O)c(C5CCCCC5)c4)cc(C4CCCCC4)c3O)c2)cc1C1CCCCC1
InChIInChI=1S/C55H64O4/c56-51-28-26-41(30-45(51)36-16-6-1-7-17-36)43-32-47(38-20-10-3-11-21-38)54(58)49(34-43)53(40-24-14-5-15-25-40)50-35-44(33-48(55(50)59)39-22-12-4-13-23-39)42-27-29-52(57)46(31-42)37-18-8-2-9-19-37/h5,14-15,24-39,53,56-59H,1-4,6-13,16-23H2
InChIKeyLLOHEFVLRQLVAH-UHFFFAOYSA-N
XLogP15.21
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.11
LogP ≤ 515.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol with MolForge

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Related Compounds

2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane
CID 165040485
2-cyclododecylphenol
CID 22381643
2-cyclohexyl-5-(4-cyclopentyl-3-hydroxyphenyl)phenol
CID 142370768
4-bromo-2-cyclohexylphenol
CID 22134516
4-amino-2-cyclohexylphenol
CID 4606632
2-cyclohexyl-4-nitrosophenol
CID 586143
3-cyclohexyl-4-hydroxybenzoic acid
CID 19884474
2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol
CID 158976886
2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane
CID 174887026
4-cyclohexyl-3-(1-phenylethyl)phenol
CID 101304185
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol
CID 57059812
2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol
CID 139959734

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol?
The IUPAC name of 2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol (CID 164762184) is 2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol.
What is the SMILES notation for 2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol?
The canonical SMILES for 2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol is Oc1ccc(-c2cc(C3CCCCC3)c(O)c(C(c3ccccc3)c3cc(-c4ccc(O)c(C5CCCCC5)c4)cc(C4CCCCC4)c3O)c2)cc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol?
The InChIKey is LLOHEFVLRQLVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H64O4/c56-51-28-26-41(30-45(51)36-16-6-1-7-17-36)43-32-47(38-20-10-3-11-21-38)54(58)49(34-43)53(40-24-14-5-15-25-40)50-35-44(33-48(55(50)59)39-22-12-4-13-23-39)42-27-29-52(57)46(31-42)37-18-8-2-9-19-37/h5,14-15,24-39,53,56-59H,1-4,6-13,16-23H2.
What are the key properties of 2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol?
2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol has a molecular weight of 789.11 g/mol, XLogP of 15.21, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol is sourced from PubChem (CID 164762184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).