4-trityloxybutane-1,3-diol

C23H24O3 — CID 14027583

IUPAC4-trityloxybutane-1,3-diol
SMILESOCCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O3/c24-17-16-22(25)18-26-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,24-25H,16-18H2
InChIKeyCVVGRFKHUIYGKS-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.74
Rot. Bonds8

About 4-trityloxybutane-1,3-diol

4-trityloxybutane-1,3-diol (PubChem CID 14027583) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-trityloxybutane-1,3-diol.

Molecular Properties

Compound Name4-trityloxybutane-1,3-diol
PubChem CID14027583
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name4-trityloxybutane-1,3-diol
SMILESOCCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O3/c24-17-16-22(25)18-26-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,24-25H,16-18H2
InChIKeyCVVGRFKHUIYGKS-UHFFFAOYSA-N
XLogP3.74
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-trityloxybutane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-ditrityloxybutan-2-ol
CID 13443283
(2S)-4-amino-1-trityloxybutan-2-ol
CID 11393893
1-trityloxyoctadecan-2-ol
CID 10436974
1,5-ditrityloxypentan-3-ol
CID 140507927
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
(2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol
CID 11761668
1-prop-2-enoxy-3-trityloxypropan-2-ol
CID 3540668
(2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol
CID 45033911
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
(2S)-6-trityloxyhexane-1,2-diol
CID 100961940
(2R)-1,2-dihydroxydocosan-5-one;(2R)-2-hydroxy-1-trityloxydocosan-5-one
CID 164956694
(5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate
CID 18642974

Frequently Asked Questions

What is the IUPAC name of 4-trityloxybutane-1,3-diol?
The IUPAC name of 4-trityloxybutane-1,3-diol (CID 14027583) is 4-trityloxybutane-1,3-diol.
What is the SMILES notation for 4-trityloxybutane-1,3-diol?
The canonical SMILES for 4-trityloxybutane-1,3-diol is OCCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-trityloxybutane-1,3-diol?
The InChIKey is CVVGRFKHUIYGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c24-17-16-22(25)18-26-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,24-25H,16-18H2.
What are the key properties of 4-trityloxybutane-1,3-diol?
4-trityloxybutane-1,3-diol has a molecular weight of 348.44 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trityloxybutane-1,3-diol is sourced from PubChem (CID 14027583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).