1,4-bis(furan-2-yl)but-2-yne-1,4-diol

C12H10O4 — CID 565624

IUPAC1,4-bis(furan-2-yl)but-2-yne-1,4-diol
SMILESOC(C#CC(O)c1ccco1)c1ccco1
InChIInChI=1S/C12H10O4/c13-9(11-3-1-7-15-11)5-6-10(14)12-4-2-8-16-12/h1-4,7-10,13-14H
InChIKeyMYQSDSIEYSPFJW-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.64
Rot. Bonds2

About 1,4-bis(furan-2-yl)but-2-yne-1,4-diol

1,4-bis(furan-2-yl)but-2-yne-1,4-diol (PubChem CID 565624) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1,4-bis(furan-2-yl)but-2-yne-1,4-diol.

Molecular Properties

Compound Name1,4-bis(furan-2-yl)but-2-yne-1,4-diol
PubChem CID565624
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name1,4-bis(furan-2-yl)but-2-yne-1,4-diol
SMILESOC(C#CC(O)c1ccco1)c1ccco1
InChIInChI=1S/C12H10O4/c13-9(11-3-1-7-15-11)5-6-10(14)12-4-2-8-16-12/h1-4,7-10,13-14H
InChIKeyMYQSDSIEYSPFJW-UHFFFAOYSA-N
XLogP1.64
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-3-cyclopropyl-1-(furan-2-yl)prop-2-yn-1-ol
CID 784916
methyl (4R)-4-(furan-2-yl)-4-hydroxybut-2-ynoate
CID 102087738
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
2-(furan-2-yl)-2-hydroxyacetate
CID 4549959
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-methylbutane-1,3-diol
CID 72990739
furan-2-yl(pyrrol-1-yl)methanol
CID 11423762
(S)-cyclopropyl(furan-2-yl)methanol
CID 39235067
diethyl 2-[[2-[3-(furan-2-yl)-3-hydroxyprop-1-ynyl]phenyl]methyl]propanedioate
CID 102469716
(1R)-3-chloro-1-(furan-2-yl)propan-1-ol
CID 67216727

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(furan-2-yl)but-2-yne-1,4-diol?
The IUPAC name of 1,4-bis(furan-2-yl)but-2-yne-1,4-diol (CID 565624) is 1,4-bis(furan-2-yl)but-2-yne-1,4-diol.
What is the SMILES notation for 1,4-bis(furan-2-yl)but-2-yne-1,4-diol?
The canonical SMILES for 1,4-bis(furan-2-yl)but-2-yne-1,4-diol is OC(C#CC(O)c1ccco1)c1ccco1.
What is the InChIKey of 1,4-bis(furan-2-yl)but-2-yne-1,4-diol?
The InChIKey is MYQSDSIEYSPFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c13-9(11-3-1-7-15-11)5-6-10(14)12-4-2-8-16-12/h1-4,7-10,13-14H.
What are the key properties of 1,4-bis(furan-2-yl)but-2-yne-1,4-diol?
1,4-bis(furan-2-yl)but-2-yne-1,4-diol has a molecular weight of 218.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(furan-2-yl)but-2-yne-1,4-diol is sourced from PubChem (CID 565624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).