2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol

C55H48O4 — CID 122648941

IUPAC2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol
SMILESCc1cc(-c2ccc(-c3ccccc3)cc2)c(O)c(-c2ccccc2COCCCOCc2ccccc2-c2cc(C)cc(-c3ccc(-c4ccccc4)cc3)c2O)c1
InChIInChI=1S/C55H48O4/c1-38-32-50(44-26-22-42(23-27-44)40-14-5-3-6-15-40)54(56)52(34-38)48-20-11-9-18-46(48)36-58-30-13-31-59-37-47-19-10-12-21-49(47)53-35-39(2)33-51(55(53)57)45-28-24-43(25-29-45)41-16-7-4-8-17-41/h3-12,14-29,32-35,56-57H,13,30-31,36-37H2,1-2H3
InChIKeyVDQYLMPLUSYNAH-UHFFFAOYSA-N
MW772.99 g/mol
LogP13.84
Rot. Bonds14

About 2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol

2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol (PubChem CID 122648941) has the molecular formula C55H48O4 and a molecular weight of 772.99 g/mol. Its IUPAC name is 2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol.

Molecular Properties

Compound Name2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol
PubChem CID122648941
Molecular FormulaC55H48O4
Molecular Weight772.99 g/mol
Exact Mass772.36
IUPAC Name2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol
SMILESCc1cc(-c2ccc(-c3ccccc3)cc2)c(O)c(-c2ccccc2COCCCOCc2ccccc2-c2cc(C)cc(-c3ccc(-c4ccccc4)cc3)c2O)c1
InChIInChI=1S/C55H48O4/c1-38-32-50(44-26-22-42(23-27-44)40-14-5-3-6-15-40)54(56)52(34-38)48-20-11-9-18-46(48)36-58-30-13-31-59-37-47-19-10-12-21-49(47)53-35-39(2)33-51(55(53)57)45-28-24-43(25-29-45)41-16-7-4-8-17-41/h3-12,14-29,32-35,56-57H,13,30-31,36-37H2,1-2H3
InChIKeyVDQYLMPLUSYNAH-UHFFFAOYSA-N
XLogP13.84
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.99
LogP ≤ 513.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-6-(4-phenylphenyl)benzene-1,4-diol
CID 134371673
bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol
CID 159033104
4-tert-butyl-2-[2-[4-[2-(5-tert-butyl-2-hydroxy-3-phenylphenyl)phenoxy]butoxy]phenyl]-6-phenylphenol;2-(3,5-ditert-butylphenyl)-6-[2-[3-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-4-methylphenol;2-[2-[2-[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenoxy]ethoxy]phenyl]-4-methyl-6-(4-phenylphenyl)phenol
CID 159373653
4-ethoxy-2-(4-methylphenyl)-6-phenylphenol
CID 86012109
benzyl 2-hydroxy-5-methyl-3-phenylbenzoate
CID 59014793
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
ethyl 2-[(2-phenylphenyl)methoxy]acetate
CID 141346159
carbanide;2-[2-[2-[4-[2-(2-hydroxy-5-methyl-3-phenylphenyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-6-phenylphenol;zirconium(2+)
CID 169283759
(2,5-dimethyl-3-phenylphenyl)methanol
CID 145013293
2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc
CID 58652419
2-bromo-6-(2-hydroxyphenyl)-4-methylphenol;phenylmethoxymethylbenzene
CID 22508442
1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene
CID 46217874

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol?
The IUPAC name of 2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol (CID 122648941) is 2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol.
What is the SMILES notation for 2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol?
The canonical SMILES for 2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol is Cc1cc(-c2ccc(-c3ccccc3)cc2)c(O)c(-c2ccccc2COCCCOCc2ccccc2-c2cc(C)cc(-c3ccc(-c4ccccc4)cc3)c2O)c1.
What is the InChIKey of 2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol?
The InChIKey is VDQYLMPLUSYNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48O4/c1-38-32-50(44-26-22-42(23-27-44)40-14-5-3-6-15-40)54(56)52(34-38)48-20-11-9-18-46(48)36-58-30-13-31-59-37-47-19-10-12-21-49(47)53-35-39(2)33-51(55(53)57)45-28-24-43(25-29-45)41-16-7-4-8-17-41/h3-12,14-29,32-35,56-57H,13,30-31,36-37H2,1-2H3.
What are the key properties of 2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol?
2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol has a molecular weight of 772.99 g/mol, XLogP of 13.84, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[[2-[2-hydroxy-5-methyl-3-(4-phenylphenyl)phenyl]phenyl]methoxy]propoxymethyl]phenyl]-4-methyl-6-(4-phenylphenyl)phenol is sourced from PubChem (CID 122648941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).