1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol

C14H17FO3 — CID 114727339

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol
SMILESCOC(C(C)C)C(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C14H17FO3/c1-8(2)13(17-3)12(16)11-7-9-5-4-6-10(15)14(9)18-11/h4-8,12-13,16H,1-3H3
InChIKeyRCGQYUIEQNMONZ-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.28
Rot. Bonds4

About 1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol

1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol (PubChem CID 114727339) 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-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol
PubChem CID114727339
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol
SMILESCOC(C(C)C)C(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C14H17FO3/c1-8(2)13(17-3)12(16)11-7-9-5-4-6-10(15)14(9)18-11/h4-8,12-13,16H,1-3H3
InChIKeyRCGQYUIEQNMONZ-UHFFFAOYSA-N
XLogP3.28
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114731187
[1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247114
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130050
1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol
CID 115836972
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanol
CID 114723330
(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 114723604

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol (CID 114727339) is 1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol is COC(C(C)C)C(O)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol?
The InChIKey is RCGQYUIEQNMONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-8(2)13(17-3)12(16)11-7-9-5-4-6-10(15)14(9)18-11/h4-8,12-13,16H,1-3H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol?
1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol has a molecular weight of 252.28 g/mol, XLogP of 3.28, 4 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-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 114727339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).