1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol

C14H13FO2 — CID 105082433

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol
SMILESCC#CCC(O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C14H13FO2/c1-3-4-5-12(16)14-9(2)11-8-10(15)6-7-13(11)17-14/h6-8,12,16H,5H2,1-2H3
InChIKeyPWKLKWBMWPIFTI-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.33
Rot. Bonds2

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol (PubChem CID 105082433) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol
PubChem CID105082433
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol
SMILESCC#CCC(O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C14H13FO2/c1-3-4-5-12(16)14-9(2)11-8-10(15)6-7-13(11)17-14/h6-8,12,16H,5H2,1-2H3
InChIKeyPWKLKWBMWPIFTI-UHFFFAOYSA-N
XLogP3.33
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.33
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-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-en-1-ol
CID 105081653
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol
CID 105127366
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078061
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol
CID 105111899
(3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 105079226
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(furan-2-yl)ethanol
CID 105122935
2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105076751
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-ol
CID 105110464
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065682
2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105105511
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol (CID 105082433) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol is CC#CCC(O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol?
The InChIKey is PWKLKWBMWPIFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-3-4-5-12(16)14-9(2)11-8-10(15)6-7-13(11)17-14/h6-8,12,16H,5H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol has a molecular weight of 232.25 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol is sourced from PubChem (CID 105082433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).