4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol

C56H50O4 — CID 164762243

IUPAC4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol
SMILESCc1cc(-c2cc(C)c(O)c(C(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc(C)c(O)c(C(C)c5ccc(-c6ccccc6)cc5)c4)cc(C)c3O)c2)cc(C)c1O
InChIInChI=1S/C56H50O4/c1-33-25-45(26-34(2)53(33)57)47-28-36(4)55(59)50(31-47)52(44-23-21-43(22-24-44)41-15-11-8-12-16-41)51-32-48(29-37(5)56(51)60)46-27-35(3)54(58)49(30-46)38(6)39-17-19-42(20-18-39)40-13-9-7-10-14-40/h7-32,38,52,57-60H,1-6H3
InChIKeyRICSQCFEYKVPKR-UHFFFAOYSA-N
MW787.01 g/mol
LogP14.05
Rot. Bonds9

About 4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol

4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol (PubChem CID 164762243) has the molecular formula C56H50O4 and a molecular weight of 787.01 g/mol. Its IUPAC name is 4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol
PubChem CID164762243
Molecular FormulaC56H50O4
Molecular Weight787.01 g/mol
Exact Mass786.37
IUPAC Name4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol
SMILESCc1cc(-c2cc(C)c(O)c(C(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc(C)c(O)c(C(C)c5ccc(-c6ccccc6)cc5)c4)cc(C)c3O)c2)cc(C)c1O
InChIInChI=1S/C56H50O4/c1-33-25-45(26-34(2)53(33)57)47-28-36(4)55(59)50(31-47)52(44-23-21-43(22-24-44)41-15-11-8-12-16-41)51-32-48(29-37(5)56(51)60)46-27-35(3)54(58)49(30-46)38(6)39-17-19-42(20-18-39)40-13-9-7-10-14-40/h7-32,38,52,57-60H,1-6H3
InChIKeyRICSQCFEYKVPKR-UHFFFAOYSA-N
XLogP14.05
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.01
LogP ≤ 514.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol
CID 164762169
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene
CID 161255951
4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
CID 139962444
2,6-dimethyl-4-(4-sulfanylphenyl)phenol
CID 129086516
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
CID 21020641
2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol
CID 164762157
2-chloro-4-phenyl-6-propan-2-ylphenol
CID 146604618
2,5-dimethyl-4-(1-phenylethyl)phenol
CID 44719973
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene
CID 140720985

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol (CID 164762243) is 4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol is Cc1cc(-c2cc(C)c(O)c(C(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc(C)c(O)c(C(C)c5ccc(-c6ccccc6)cc5)c4)cc(C)c3O)c2)cc(C)c1O.
What is the InChIKey of 4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol?
The InChIKey is RICSQCFEYKVPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50O4/c1-33-25-45(26-34(2)53(33)57)47-28-36(4)55(59)50(31-47)52(44-23-21-43(22-24-44)41-15-11-8-12-16-41)51-32-48(29-37(5)56(51)60)46-27-35(3)54(58)49(30-46)38(6)39-17-19-42(20-18-39)40-13-9-7-10-14-40/h7-32,38,52,57-60H,1-6H3.
What are the key properties of 4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol?
4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol has a molecular weight of 787.01 g/mol, XLogP of 14.05, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol is sourced from PubChem (CID 164762243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).