4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol

C14H17FO2 — CID 114733754

IUPAC4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H17FO2/c1-9(16)8-14(2,3)13-7-10-6-11(15)4-5-12(10)17-13/h4-7,9,16H,8H2,1-3H3
InChIKeyMPSYXOSJGSUANC-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.62
Rot. Bonds3

About 4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol

4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol (PubChem CID 114733754) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol
PubChem CID114733754
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H17FO2/c1-9(16)8-14(2,3)13-7-10-6-11(15)4-5-12(10)17-13/h4-7,9,16H,8H2,1-3H3
InChIKeyMPSYXOSJGSUANC-UHFFFAOYSA-N
XLogP3.62
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733752
2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735425
3-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114735490
1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
CID 114722950
2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol
CID 114724338
2-(5-fluoro-1-benzofuran-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 114832934
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
CID 115836618
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 114724299
2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
CID 114726918
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol
CID 101417419
N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733542

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol?
The IUPAC name of 4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol (CID 114733754) is 4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol.
What is the SMILES notation for 4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol?
The canonical SMILES for 4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol is CC(O)CC(C)(C)c1cc2cc(F)ccc2o1.
What is the InChIKey of 4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol?
The InChIKey is MPSYXOSJGSUANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-9(16)8-14(2,3)13-7-10-6-11(15)4-5-12(10)17-13/h4-7,9,16H,8H2,1-3H3.
What are the key properties of 4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol?
4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol has a molecular weight of 236.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol is sourced from PubChem (CID 114733754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).