[2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene

C44H42O3 — CID 142657548

IUPAC[2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene
SMILESCOC(C)(OC(C)(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H42O3/c1-41(45-3,43(35-23-11-5-12-24-35,36-25-13-6-14-26-36)37-27-15-7-16-28-37)47-42(2,46-4)44(38-29-17-8-18-30-38,39-31-19-9-20-32-39)40-33-21-10-22-34-40/h5-34H,1-4H3
InChIKeyJDUVGXBUTDBDLV-UHFFFAOYSA-N
MW618.82 g/mol
LogP9.80
Rot. Bonds12

About [2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene

[2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene (PubChem CID 142657548) has the molecular formula C44H42O3 and a molecular weight of 618.82 g/mol. Its IUPAC name is [2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene.

Molecular Properties

Compound Name[2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene
PubChem CID142657548
Molecular FormulaC44H42O3
Molecular Weight618.82 g/mol
Exact Mass618.31
IUPAC Name[2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene
SMILESCOC(C)(OC(C)(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H42O3/c1-41(45-3,43(35-23-11-5-12-24-35,36-25-13-6-14-26-36)37-27-15-7-16-28-37)47-42(2,46-4)44(38-29-17-8-18-30-38,39-31-19-9-20-32-39)40-33-21-10-22-34-40/h5-34H,1-4H3
InChIKeyJDUVGXBUTDBDLV-UHFFFAOYSA-N
XLogP9.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.82
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene?
The IUPAC name of [2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene (CID 142657548) is [2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene.
What is the SMILES notation for [2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene?
The canonical SMILES for [2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene is COC(C)(OC(C)(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene?
The InChIKey is JDUVGXBUTDBDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42O3/c1-41(45-3,43(35-23-11-5-12-24-35,36-25-13-6-14-26-36)37-27-15-7-16-28-37)47-42(2,46-4)44(38-29-17-8-18-30-38,39-31-19-9-20-32-39)40-33-21-10-22-34-40/h5-34H,1-4H3.
What are the key properties of [2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene?
[2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene has a molecular weight of 618.82 g/mol, XLogP of 9.80, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-2-(2-methoxy-1,1,1-triphenylpropan-2-yl)oxy-1,1-diphenylpropyl]benzene is sourced from PubChem (CID 142657548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).