6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one

C14H18O5 — CID 63989056

IUPAC6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one
SMILESCC(C)OCC(O)COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C14H18O5/c1-9(2)17-6-10(15)7-18-11-3-4-12-13(16)8-19-14(12)5-11/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyFNBUNNZXKKKISZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.43
Rot. Bonds6

About 6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one

6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one (PubChem CID 63989056) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one
PubChem CID63989056
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one
SMILESCC(C)OCC(O)COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C14H18O5/c1-9(2)17-6-10(15)7-18-11-3-4-12-13(16)8-19-14(12)5-11/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyFNBUNNZXKKKISZ-UHFFFAOYSA-N
XLogP1.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-hydroxy-3-[(3-oxo-1-benzofuran-6-yl)oxy]propoxy]phenyl]acetonitrile
CID 167961672
6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one
CID 167926452
6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503
2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide
CID 60772248
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
(3S)-3-[(3-oxo-1-benzofuran-6-yl)oxy]butanoic acid
CID 103547942
6-(3-oxobutan-2-yloxy)-1-benzofuran-3-one
CID 62033452
6-methoxy-1-benzofuran-3-one
CID 585368
6-(3,3-dimethylbutoxy)-1-benzofuran-3-one
CID 55025234
N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine
CID 76985192
3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711
6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one
CID 82507298

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one?
The IUPAC name of 6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one (CID 63989056) is 6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one.
What is the SMILES notation for 6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one?
The canonical SMILES for 6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one is CC(C)OCC(O)COc1ccc2c(c1)OCC2=O.
What is the InChIKey of 6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one?
The InChIKey is FNBUNNZXKKKISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-9(2)17-6-10(15)7-18-11-3-4-12-13(16)8-19-14(12)5-11/h3-5,9-10,15H,6-8H2,1-2H3.
What are the key properties of 6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one?
6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one has a molecular weight of 266.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one is sourced from PubChem (CID 63989056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).