1-(furan-3-yl)but-3-yn-1-ol

C8H8O2 — CID 11252037

IUPAC1-(furan-3-yl)but-3-yn-1-ol
SMILESC#CCC(O)c1ccoc1
InChIInChI=1S/C8H8O2/c1-2-3-8(9)7-4-5-10-6-7/h1,4-6,8-9H,3H2
InChIKeyMOEHDYKMUIIJHA-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.34
Rot. Bonds2

About 1-(furan-3-yl)but-3-yn-1-ol

1-(furan-3-yl)but-3-yn-1-ol (PubChem CID 11252037) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-(furan-3-yl)but-3-yn-1-ol.

Molecular Properties

Compound Name1-(furan-3-yl)but-3-yn-1-ol
PubChem CID11252037
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name1-(furan-3-yl)but-3-yn-1-ol
SMILESC#CCC(O)c1ccoc1
InChIInChI=1S/C8H8O2/c1-2-3-8(9)7-4-5-10-6-7/h1,4-6,8-9H,3H2
InChIKeyMOEHDYKMUIIJHA-UHFFFAOYSA-N
XLogP1.34
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(furan-3-yl)pent-3-yn-1-ol
CID 11321039
CID 134942666
CID 134942666
(1R)-1-(furan-3-yl)propane-1,3-diol
CID 124583240
1,2-bis(furan-3-yl)ethanol
CID 83172033
(1S)-1-(furan-3-yl)butane-1,4-diol
CID 129362358
(1R)-3-chloro-1-(furan-3-yl)propan-1-ol
CID 55298538
4-chloro-1-(furan-3-yl)butan-1-ol
CID 66045175
4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol
CID 64567375
1-(furan-3-yl)nonadecan-1-ol
CID 10712867
(1S,3S)-1-(furan-3-yl)-5-trimethylsilylpent-4-yne-1,3-diol
CID 11020968
2-tert-butylsulfanyl-1-(furan-3-yl)ethanol
CID 65132820
1-(furan-3-yl)-3-phenylbutan-1-ol
CID 63948352

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)but-3-yn-1-ol?
The IUPAC name of 1-(furan-3-yl)but-3-yn-1-ol (CID 11252037) is 1-(furan-3-yl)but-3-yn-1-ol.
What is the SMILES notation for 1-(furan-3-yl)but-3-yn-1-ol?
The canonical SMILES for 1-(furan-3-yl)but-3-yn-1-ol is C#CCC(O)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)but-3-yn-1-ol?
The InChIKey is MOEHDYKMUIIJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-3-8(9)7-4-5-10-6-7/h1,4-6,8-9H,3H2.
What are the key properties of 1-(furan-3-yl)but-3-yn-1-ol?
1-(furan-3-yl)but-3-yn-1-ol has a molecular weight of 136.15 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)but-3-yn-1-ol is sourced from PubChem (CID 11252037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).