Benzyl trityl ether

C26H22O — CID 220137

IUPAC[diphenyl(phenylmethoxy)methyl]benzene
SMILESC1=CC=C(C=C1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C26H22O/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyCBFSOKBLQATTRC-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.20
Rot. Bonds6

About Benzyl trityl ether

Benzyl trityl ether (PubChem CID 220137) has the molecular formula C26H22O and a molecular weight of 350.50 g/mol. Its IUPAC name is [diphenyl(phenylmethoxy)methyl]benzene.

Molecular Properties

Compound NameBenzyl trityl ether
PubChem CID220137
Molecular FormulaC26H22O
Molecular Weight350.50 g/mol
Exact Mass350.17
IUPAC Name[diphenyl(phenylmethoxy)methyl]benzene
SMILESC1=CC=C(C=C1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C26H22O/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyCBFSOKBLQATTRC-UHFFFAOYSA-N
XLogP6.20
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity360

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dibenzyl ether
CID 7657
Benzopinacol
CID 94766
1,4-Butanediol, 1,1,4,4-tetraphenyl-
CID 44541
Bis(1-phenylethyl) ether
CID 62342
2,2-Diphenyltetrahydrofuran
CID 70175
Methyl trityl ether
CID 136388
Ethyl trityl ether
CID 294563
1,1-Dibenzyloxy-2-phenylethane
CID 95980
cis-Stilbene oxide
CID 98511
2,4,6-Triphenyl-1,3-dioxane
CID 568919
Bis(diphenylmethyl) ether
CID 11323
Benzene, 1,1'-(methoxymethylene)bis-
CID 219159

Frequently Asked Questions

What is the IUPAC name of Benzyl trityl ether?
The IUPAC name of Benzyl trityl ether (CID 220137) is [diphenyl(phenylmethoxy)methyl]benzene.
What is the SMILES notation for Benzyl trityl ether?
The canonical SMILES for Benzyl trityl ether is C1=CC=C(C=C1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.
What is the InChIKey of Benzyl trityl ether?
The InChIKey is CBFSOKBLQATTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2.
What are the key properties of Benzyl trityl ether?
Benzyl trityl ether has a molecular weight of 350.50 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Benzyl trityl ether is sourced from PubChem (CID 220137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).