1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol

C14H17FO3 — CID 105111899

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol
SMILESCCCOCC(O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C14H17FO3/c1-3-6-17-8-12(16)14-9(2)11-7-10(15)4-5-13(11)18-14/h4-5,7,12,16H,3,6,8H2,1-2H3
InChIKeyWHNCIURCNNTADA-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.34
Rot. Bonds5

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol (PubChem CID 105111899) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol
PubChem CID105111899
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol
SMILESCCCOCC(O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C14H17FO3/c1-3-6-17-8-12(16)14-9(2)11-7-10(15)4-5-13(11)18-14/h4-5,7,12,16H,3,6,8H2,1-2H3
InChIKeyWHNCIURCNNTADA-UHFFFAOYSA-N
XLogP3.34
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)pent-3-yn-1-ol
CID 105082433
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
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
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethanamine
CID 105168110
(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
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105080133

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol (CID 105111899) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol is CCCOCC(O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol?
The InChIKey is WHNCIURCNNTADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-3-6-17-8-12(16)14-9(2)11-7-10(15)4-5-13(11)18-14/h4-5,7,12,16H,3,6,8H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol has a molecular weight of 252.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol is sourced from PubChem (CID 105111899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).