(1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol

C50H44O3 — CID 10580518

IUPAC(1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol
SMILESO[C@]1(c2ccccc2)C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H44O3/c51-48(40-22-8-1-9-23-40)36-39(37-52-49(41-24-10-2-11-25-41,42-26-12-3-13-27-42)43-28-14-4-15-29-43)47(48)38-53-50(44-30-16-5-17-31-44,45-32-18-6-19-33-45)46-34-20-7-21-35-46/h1-35,39,47,51H,36-38H2/t39-,47-,48+/m1/s1
InChIKeyALTULILJIAHHMA-IMNXQNSSSA-N
MW692.90 g/mol
LogP10.53
Rot. Bonds13

About (1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol

(1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol (PubChem CID 10580518) has the molecular formula C50H44O3 and a molecular weight of 692.90 g/mol. Its IUPAC name is (1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name(1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol
PubChem CID10580518
Molecular FormulaC50H44O3
Molecular Weight692.90 g/mol
Exact Mass692.33
IUPAC Name(1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol
SMILESO[C@]1(c2ccccc2)C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H44O3/c51-48(40-22-8-1-9-23-40)36-39(37-52-49(41-24-10-2-11-25-41,42-26-12-3-13-27-42)43-28-14-4-15-29-43)47(48)38-53-50(44-30-16-5-17-31-44,45-32-18-6-19-33-45)46-34-20-7-21-35-46/h1-35,39,47,51H,36-38H2/t39-,47-,48+/m1/s1
InChIKeyALTULILJIAHHMA-IMNXQNSSSA-N
XLogP10.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.90
LogP ≤ 510.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol?
The IUPAC name of (1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol (CID 10580518) is (1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol.
What is the SMILES notation for (1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol?
The canonical SMILES for (1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol is O[C@]1(c2ccccc2)C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol?
The InChIKey is ALTULILJIAHHMA-IMNXQNSSSA-N. The full InChI is InChI=1S/C50H44O3/c51-48(40-22-8-1-9-23-40)36-39(37-52-49(41-24-10-2-11-25-41,42-26-12-3-13-27-42)43-28-14-4-15-29-43)47(48)38-53-50(44-30-16-5-17-31-44,45-32-18-6-19-33-45)46-34-20-7-21-35-46/h1-35,39,47,51H,36-38H2/t39-,47-,48+/m1/s1.
What are the key properties of (1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol?
(1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol has a molecular weight of 692.90 g/mol, XLogP of 10.53, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol is sourced from PubChem (CID 10580518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).