3-trityloxypropane-1,2-diol

C22H22O3 — CID 2882827

IUPAC3-trityloxypropane-1,2-diol
SMILESOCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3/c23-16-21(24)17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,23-24H,16-17H2
InChIKeyWBIMHXTXZQKJIH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.35
Rot. Bonds7

About 3-trityloxypropane-1,2-diol

3-trityloxypropane-1,2-diol (PubChem CID 2882827) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-trityloxypropane-1,2-diol.

Molecular Properties

Compound Name3-trityloxypropane-1,2-diol
PubChem CID2882827
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name3-trityloxypropane-1,2-diol
SMILESOCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3/c23-16-21(24)17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,23-24H,16-17H2
InChIKeyWBIMHXTXZQKJIH-UHFFFAOYSA-N
XLogP3.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
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 3-trityloxypropane-1,2-diol?
The IUPAC name of 3-trityloxypropane-1,2-diol (CID 2882827) is 3-trityloxypropane-1,2-diol.
What is the SMILES notation for 3-trityloxypropane-1,2-diol?
The canonical SMILES for 3-trityloxypropane-1,2-diol is OCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-trityloxypropane-1,2-diol?
The InChIKey is WBIMHXTXZQKJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c23-16-21(24)17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,23-24H,16-17H2.
What are the key properties of 3-trityloxypropane-1,2-diol?
3-trityloxypropane-1,2-diol has a molecular weight of 334.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trityloxypropane-1,2-diol is sourced from PubChem (CID 2882827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).