1-(furan-2-yl)pent-1-yn-3-ol

C9H10O2 — CID 102085937

IUPAC1-(furan-2-yl)pent-1-yn-3-ol
SMILESCCC(O)C#Cc1ccco1
InChIInChI=1S/C9H10O2/c1-2-8(10)5-6-9-4-3-7-11-9/h3-4,7-8,10H,2H2,1H3
InChIKeyROTUAKFKAXZWOK-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.40
Rot. Bonds1

About 1-(furan-2-yl)pent-1-yn-3-ol

1-(furan-2-yl)pent-1-yn-3-ol (PubChem CID 102085937) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(furan-2-yl)pent-1-yn-3-ol.

Molecular Properties

Compound Name1-(furan-2-yl)pent-1-yn-3-ol
PubChem CID102085937
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-(furan-2-yl)pent-1-yn-3-ol
SMILESCCC(O)C#Cc1ccco1
InChIInChI=1S/C9H10O2/c1-2-8(10)5-6-9-4-3-7-11-9/h3-4,7-8,10H,2H2,1H3
InChIKeyROTUAKFKAXZWOK-UHFFFAOYSA-N
XLogP1.40
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.40
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

1-(furan-2-yl)pent-1-yn-3-amine
CID 106225778
2-(3-methylbut-1-ynyl)furan
CID 59202131
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
6-(furan-2-yl)hex-5-yn-2-one
CID 125495347
(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
CID 69117104
1-(furan-2-yl)propane-1-thiol
CID 62631809
3-(furan-2-yl)prop-2-ynenitrile
CID 12540466
7-(furan-2-yl)hept-6-yn-2-one
CID 101478956
1,4-bis(furan-2-yl)but-2-yne-1,4-diol
CID 565624
1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol
CID 21322371
1-(furan-2-yl)decan-1-ol
CID 11085452
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)pent-1-yn-3-ol?
The IUPAC name of 1-(furan-2-yl)pent-1-yn-3-ol (CID 102085937) is 1-(furan-2-yl)pent-1-yn-3-ol.
What is the SMILES notation for 1-(furan-2-yl)pent-1-yn-3-ol?
The canonical SMILES for 1-(furan-2-yl)pent-1-yn-3-ol is CCC(O)C#Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)pent-1-yn-3-ol?
The InChIKey is ROTUAKFKAXZWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-8(10)5-6-9-4-3-7-11-9/h3-4,7-8,10H,2H2,1H3.
What are the key properties of 1-(furan-2-yl)pent-1-yn-3-ol?
1-(furan-2-yl)pent-1-yn-3-ol has a molecular weight of 150.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)pent-1-yn-3-ol is sourced from PubChem (CID 102085937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).