1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol

C14H17FO3 — CID 105130050

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OCC(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C14H17FO3/c1-14(2,3)17-8-11(16)12-7-9-5-4-6-10(15)13(9)18-12/h4-7,11,16H,8H2,1-3H3
InChIKeyWLSKEJPPISXKDA-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.42
Rot. Bonds3

About 1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol

1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 105130050) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID105130050
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OCC(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C14H17FO3/c1-14(2,3)17-8-11(16)12-7-9-5-4-6-10(15)13(9)18-12/h4-7,11,16H,8H2,1-3H3
InChIKeyWLSKEJPPISXKDA-UHFFFAOYSA-N
XLogP3.42
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114726596
2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114727065
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
CID 114726861
(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 114723604
1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 114727339
2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 114731348
1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 114726469
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105078293

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 105130050) is 1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol is CC(C)(C)OCC(O)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is WLSKEJPPISXKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-14(2,3)17-8-11(16)12-7-9-5-4-6-10(15)13(9)18-12/h4-7,11,16H,8H2,1-3H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 252.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 105130050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).