1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol

C15H17FO2 — CID 105127366

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H17FO2/c1-9(2)4-6-13(17)15-10(3)12-8-11(16)5-7-14(12)18-15/h5,7-8,13,17H,1,4,6H2,2-3H3
InChIKeyLRAFYBWXCMXBQU-UHFFFAOYSA-N
MW248.30 g/mol
LogP4.27
Rot. Bonds4

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol (PubChem CID 105127366) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol
PubChem CID105127366
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H17FO2/c1-9(2)4-6-13(17)15-10(3)12-8-11(16)5-7-14(12)18-15/h5,7-8,13,17H,1,4,6H2,2-3H3
InChIKeyLRAFYBWXCMXBQU-UHFFFAOYSA-N
XLogP4.27
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-ol
CID 105110464
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)-2-(2-methylphenyl)ethanol
CID 105078061
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol
CID 105082433
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol
CID 105111899
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
(3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 105079226
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105112280
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065682

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol (CID 105127366) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol?
The InChIKey is LRAFYBWXCMXBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-9(2)4-6-13(17)15-10(3)12-8-11(16)5-7-14(12)18-15/h5,7-8,13,17H,1,4,6H2,2-3H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol has a molecular weight of 248.30 g/mol, XLogP of 4.27, 4 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)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 105127366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).