4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol

C16H19FO3 — CID 114723797

IUPAC4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(c2cc3cccc(F)c3o2)CCO1
InChIInChI=1S/C16H19FO3/c1-2-4-12-10-16(18,7-8-19-12)14-9-11-5-3-6-13(17)15(11)20-14/h3,5-6,9,12,18H,2,4,7-8,10H2,1H3
InChIKeyASQOCNAATKCZGC-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.74
Rot. Bonds3

About 4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol

4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol (PubChem CID 114723797) has the molecular formula C16H19FO3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol.

Molecular Properties

Compound Name4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol
PubChem CID114723797
Molecular FormulaC16H19FO3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(c2cc3cccc(F)c3o2)CCO1
InChIInChI=1S/C16H19FO3/c1-2-4-12-10-16(18,7-8-19-12)14-9-11-5-3-6-13(17)15(11)20-14/h3,5-6,9,12,18H,2,4,7-8,10H2,1H3
InChIKeyASQOCNAATKCZGC-UHFFFAOYSA-N
XLogP3.74
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114723863
4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol
CID 82806552
8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114724054
1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723916
2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol
CID 64984799
2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran
CID 114734029
2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114724478
4-(1H-indol-5-yl)-2-propyloxan-4-ol
CID 81445173
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
CID 114735091
2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol
CID 114723809
4-(cycloocten-1-yl)-2-propyloxan-4-ol
CID 106651119
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol?
The IUPAC name of 4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol (CID 114723797) is 4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol.
What is the SMILES notation for 4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol?
The canonical SMILES for 4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol is CCCC1CC(O)(c2cc3cccc(F)c3o2)CCO1.
What is the InChIKey of 4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol?
The InChIKey is ASQOCNAATKCZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO3/c1-2-4-12-10-16(18,7-8-19-12)14-9-11-5-3-6-13(17)15(11)20-14/h3,5-6,9,12,18H,2,4,7-8,10H2,1H3.
What are the key properties of 4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol?
4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol has a molecular weight of 278.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol is sourced from PubChem (CID 114723797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).