1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol

C28H30O5 — CID 14462308

IUPAC1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol
SMILESCOC1C=CC(OC)(C(O)C(C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C28H30O5/c1-21(26(29)27(31-3)20-19-25(30-2)33-27)32-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-21,25-26,29H,1-3H3
InChIKeyCGQIRHZWFJVGQX-UHFFFAOYSA-N
MW446.54 g/mol
LogP4.65
Rot. Bonds9

About 1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol

1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol (PubChem CID 14462308) has the molecular formula C28H30O5 and a molecular weight of 446.54 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol
PubChem CID14462308
Molecular FormulaC28H30O5
Molecular Weight446.54 g/mol
Exact Mass446.21
IUPAC Name1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol
SMILESCOC1C=CC(OC)(C(O)C(C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C28H30O5/c1-21(26(29)27(31-3)20-19-25(30-2)33-27)32-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-21,25-26,29H,1-3H3
InChIKeyCGQIRHZWFJVGQX-UHFFFAOYSA-N
XLogP4.65
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol
CID 7167551
CID 177315687
CID 177315687
ditert-butyl 2-[(1S,2S)-1-hydroxy-2-trityloxypropyl]propanedioate
CID 11114188
2-trityloxypropane-1,3-diol
CID 174565269
[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol
CID 86312017
carbanide;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;propan-2-ol;titanium
CID 14400222
1-chloroethyl (2R)-2-trityloxypropanoate
CID 155219631
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
(2S)-2-trityloxypropanal
CID 11834057
trityl hypobromite
CID 21394946
2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol
CID 67730640
(2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane
CID 177315684

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol?
The IUPAC name of 1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol (CID 14462308) is 1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol is COC1C=CC(OC)(C(O)C(C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol?
The InChIKey is CGQIRHZWFJVGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O5/c1-21(26(29)27(31-3)20-19-25(30-2)33-27)32-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-21,25-26,29H,1-3H3.
What are the key properties of 1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol?
1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol has a molecular weight of 446.54 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol is sourced from PubChem (CID 14462308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).