2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol

C41H36O6 — CID 164762169

IUPAC2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol
SMILESCc1cc(Oc2cc(C)c(O)c(C(c3ccc(-c4ccccc4)cc3)c3cc(Oc4ccc(O)c(C)c4)cc(C)c3O)c2)ccc1O
InChIInChI=1S/C41H36O6/c1-24-18-31(14-16-37(24)42)46-33-20-26(3)40(44)35(22-33)39(30-12-10-29(11-13-30)28-8-6-5-7-9-28)36-23-34(21-27(4)41(36)45)47-32-15-17-38(43)25(2)19-32/h5-23,39,42-45H,1-4H3
InChIKeyFENKMZPJFCGNFE-UHFFFAOYSA-N
MW624.73 g/mol
LogP10.17
Rot. Bonds8

About 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol

2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol (PubChem CID 164762169) has the molecular formula C41H36O6 and a molecular weight of 624.73 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol.

Molecular Properties

Compound Name2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol
PubChem CID164762169
Molecular FormulaC41H36O6
Molecular Weight624.73 g/mol
Exact Mass624.25
IUPAC Name2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol
SMILESCc1cc(Oc2cc(C)c(O)c(C(c3ccc(-c4ccccc4)cc3)c3cc(Oc4ccc(O)c(C)c4)cc(C)c3O)c2)ccc1O
InChIInChI=1S/C41H36O6/c1-24-18-31(14-16-37(24)42)46-33-20-26(3)40(44)35(22-33)39(30-12-10-29(11-13-30)28-8-6-5-7-9-28)36-23-34(21-27(4)41(36)45)47-32-15-17-38(43)25(2)19-32/h5-23,39,42-45H,1-4H3
InChIKeyFENKMZPJFCGNFE-UHFFFAOYSA-N
XLogP10.17
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.73
LogP ≤ 510.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-phenoxyphenol
CID 23089676
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
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
4-[(4-methoxyphenyl)-phenylmethyl]-2-methylphenol
CID 10804464
4-(3-phenylphenoxy)-2-propan-2-ylphenol
CID 21466339
2-amino-4-(4-phenylphenoxy)phenol
CID 141458116
2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol
CID 164762157
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
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-(4-hydroxy-3-methylphenoxy)-6-methylphenol
CID 66844209
4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 118667410
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol?
The IUPAC name of 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol (CID 164762169) is 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol.
What is the SMILES notation for 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol?
The canonical SMILES for 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol is Cc1cc(Oc2cc(C)c(O)c(C(c3ccc(-c4ccccc4)cc3)c3cc(Oc4ccc(O)c(C)c4)cc(C)c3O)c2)ccc1O.
What is the InChIKey of 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol?
The InChIKey is FENKMZPJFCGNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36O6/c1-24-18-31(14-16-37(24)42)46-33-20-26(3)40(44)35(22-33)39(30-12-10-29(11-13-30)28-8-6-5-7-9-28)36-23-34(21-27(4)41(36)45)47-32-15-17-38(43)25(2)19-32/h5-23,39,42-45H,1-4H3.
What are the key properties of 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol?
2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol has a molecular weight of 624.73 g/mol, XLogP of 10.17, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol is sourced from PubChem (CID 164762169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).