1-(furan-2-yl)hept-6-yn-3-ol

C11H14O2 — CID 105098567

IUPAC1-(furan-2-yl)hept-6-yn-3-ol
SMILESC#CCCC(O)CCc1ccco1
InChIInChI=1S/C11H14O2/c1-2-3-5-10(12)7-8-11-6-4-9-13-11/h1,4,6,9-10,12H,3,5,7-8H2
InChIKeyIBXCEHLDULDMGV-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.99
Rot. Bonds5

About 1-(furan-2-yl)hept-6-yn-3-ol

1-(furan-2-yl)hept-6-yn-3-ol (PubChem CID 105098567) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(furan-2-yl)hept-6-yn-3-ol.

Molecular Properties

Compound Name1-(furan-2-yl)hept-6-yn-3-ol
PubChem CID105098567
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(furan-2-yl)hept-6-yn-3-ol
SMILESC#CCCC(O)CCc1ccco1
InChIInChI=1S/C11H14O2/c1-2-3-5-10(12)7-8-11-6-4-9-13-11/h1,4,6,9-10,12H,3,5,7-8H2
InChIKeyIBXCEHLDULDMGV-UHFFFAOYSA-N
XLogP1.99
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.99
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)-6-methylheptan-3-ol
CID 105085501
1-(furan-2-yl)hept-6-yn-3-one
CID 105100759
1-phenylhept-6-yn-3-ol
CID 63657298
(2R)-4-(furan-2-yl)-2-hydroxybutanoic acid
CID 141032870
1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol
CID 105090556
1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol
CID 55149157
1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol
CID 105099638
1-thiophen-2-yloct-7-yn-4-ol
CID 105098636
1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-ol
CID 105083868
1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
furan-2-ylmethanol;propane-1,2,3-triol
CID 90073658

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)hept-6-yn-3-ol?
The IUPAC name of 1-(furan-2-yl)hept-6-yn-3-ol (CID 105098567) is 1-(furan-2-yl)hept-6-yn-3-ol.
What is the SMILES notation for 1-(furan-2-yl)hept-6-yn-3-ol?
The canonical SMILES for 1-(furan-2-yl)hept-6-yn-3-ol is C#CCCC(O)CCc1ccco1.
What is the InChIKey of 1-(furan-2-yl)hept-6-yn-3-ol?
The InChIKey is IBXCEHLDULDMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-3-5-10(12)7-8-11-6-4-9-13-11/h1,4,6,9-10,12H,3,5,7-8H2.
What are the key properties of 1-(furan-2-yl)hept-6-yn-3-ol?
1-(furan-2-yl)hept-6-yn-3-ol has a molecular weight of 178.23 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)hept-6-yn-3-ol is sourced from PubChem (CID 105098567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).