1,3-bis(furan-2-yl)propane-1,2,3-triol

C11H12O5 — CID 70525722

IUPAC1,3-bis(furan-2-yl)propane-1,2,3-triol
SMILESOC(c1ccco1)C(O)C(O)c1ccco1
InChIInChI=1S/C11H12O5/c12-9(7-3-1-5-15-7)11(14)10(13)8-4-2-6-16-8/h1-6,9-14H
InChIKeyUJLHCHSYKZVMKC-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.00
Rot. Bonds4

About 1,3-bis(furan-2-yl)propane-1,2,3-triol

1,3-bis(furan-2-yl)propane-1,2,3-triol (PubChem CID 70525722) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 1,3-bis(furan-2-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1,3-bis(furan-2-yl)propane-1,2,3-triol
PubChem CID70525722
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name1,3-bis(furan-2-yl)propane-1,2,3-triol
SMILESOC(c1ccco1)C(O)C(O)c1ccco1
InChIInChI=1S/C11H12O5/c12-9(7-3-1-5-15-7)11(14)10(13)8-4-2-6-16-8/h1-6,9-14H
InChIKeyUJLHCHSYKZVMKC-UHFFFAOYSA-N
XLogP1.00
TPSA86.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-2-methylbutane-1,3-diol
CID 72990739
1-(furan-2-yl)-2,2-diphenylethanol
CID 63947549
(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol
CID 11957999
4-(furan-2-yl)-4-hydroxy-3-methylbutan-2-one
CID 14223499
1,4-bis(furan-2-yl)but-2-yne-1,4-diol
CID 565624
(1S,2R)-1-(furan-2-yl)-2-nitropropan-1-ol
CID 44604534
3-(dimethylamino)-1-(furan-2-yl)-2-methylpropan-1-ol
CID 175069867
(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid
CID 3088964
2,2,2-trichloro-1-(furan-2-yl)ethanol
CID 11356360
2,2-difluoro-1,3-bis(furan-2-yl)propane-1,3-diol
CID 10105858
(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol
CID 7171782
1-(furan-2-yl)-2-phenylbutan-1-ol
CID 115797511

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(furan-2-yl)propane-1,2,3-triol?
The IUPAC name of 1,3-bis(furan-2-yl)propane-1,2,3-triol (CID 70525722) is 1,3-bis(furan-2-yl)propane-1,2,3-triol.
What is the SMILES notation for 1,3-bis(furan-2-yl)propane-1,2,3-triol?
The canonical SMILES for 1,3-bis(furan-2-yl)propane-1,2,3-triol is OC(c1ccco1)C(O)C(O)c1ccco1.
What is the InChIKey of 1,3-bis(furan-2-yl)propane-1,2,3-triol?
The InChIKey is UJLHCHSYKZVMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c12-9(7-3-1-5-15-7)11(14)10(13)8-4-2-6-16-8/h1-6,9-14H.
What are the key properties of 1,3-bis(furan-2-yl)propane-1,2,3-triol?
1,3-bis(furan-2-yl)propane-1,2,3-triol has a molecular weight of 224.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(furan-2-yl)propane-1,2,3-triol is sourced from PubChem (CID 70525722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).