trityl 3-hydroxypropanoate

C22H20O3 — CID 139650965

IUPACtrityl 3-hydroxypropanoate
SMILESO=C(CCO)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O3/c23-17-16-21(24)25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23H,16-17H2
InChIKeyYKGKUMGFTCWSAU-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.90
Rot. Bonds6

About trityl 3-hydroxypropanoate

trityl 3-hydroxypropanoate (PubChem CID 139650965) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is trityl 3-hydroxypropanoate.

Molecular Properties

Compound Nametrityl 3-hydroxypropanoate
PubChem CID139650965
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Nametrityl 3-hydroxypropanoate
SMILESO=C(CCO)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O3/c23-17-16-21(24)25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23H,16-17H2
InChIKeyYKGKUMGFTCWSAU-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.90
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 trityl 3-hydroxypropanoate?
The IUPAC name of trityl 3-hydroxypropanoate (CID 139650965) is trityl 3-hydroxypropanoate.
What is the SMILES notation for trityl 3-hydroxypropanoate?
The canonical SMILES for trityl 3-hydroxypropanoate is O=C(CCO)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of trityl 3-hydroxypropanoate?
The InChIKey is YKGKUMGFTCWSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c23-17-16-21(24)25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23H,16-17H2.
What are the key properties of trityl 3-hydroxypropanoate?
trityl 3-hydroxypropanoate has a molecular weight of 332.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trityl 3-hydroxypropanoate is sourced from PubChem (CID 139650965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).