2-trityloxypropane-1,3-diol

C22H22O3 — CID 174565269

IUPAC2-trityloxypropane-1,3-diol
SMILESOCC(CO)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3/c23-16-21(17-24)25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,23-24H,16-17H2
InChIKeyBCQZWQJWRZIPGF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.35
Rot. Bonds7

About 2-trityloxypropane-1,3-diol

2-trityloxypropane-1,3-diol (PubChem CID 174565269) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-trityloxypropane-1,3-diol.

Molecular Properties

Compound Name2-trityloxypropane-1,3-diol
PubChem CID174565269
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name2-trityloxypropane-1,3-diol
SMILESOCC(CO)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3/c23-16-21(17-24)25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,23-24H,16-17H2
InChIKeyBCQZWQJWRZIPGF-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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Related Compounds

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[4-[[2-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropyl]amino]-2-hydroxy-4-oxobutyl]-trimethylazanium
CID 177234312
[1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene
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CID 70568043
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CID 100961940
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CID 14027583
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(2S)-2-trityloxypropanal
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1,5-ditrityloxypentan-3-ol
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[methyl(trityloxymethyl)phosphoryl]methanol
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CID 156723269

Frequently Asked Questions

What is the IUPAC name of 2-trityloxypropane-1,3-diol?
The IUPAC name of 2-trityloxypropane-1,3-diol (CID 174565269) is 2-trityloxypropane-1,3-diol.
What is the SMILES notation for 2-trityloxypropane-1,3-diol?
The canonical SMILES for 2-trityloxypropane-1,3-diol is OCC(CO)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-trityloxypropane-1,3-diol?
The InChIKey is BCQZWQJWRZIPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c23-16-21(17-24)25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,23-24H,16-17H2.
What are the key properties of 2-trityloxypropane-1,3-diol?
2-trityloxypropane-1,3-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 2-trityloxypropane-1,3-diol is sourced from PubChem (CID 174565269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).