6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one

C19H20O6 — CID 167926452

IUPAC6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one
SMILESCOc1ccccc1COCC(O)COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C19H20O6/c1-22-18-5-3-2-4-13(18)9-23-10-14(20)11-24-15-6-7-16-17(21)12-25-19(16)8-15/h2-8,14,20H,9-12H2,1H3
InChIKeyMJQCGQLFOWHTOG-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.23
Rot. Bonds8

About 6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one

6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one (PubChem CID 167926452) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one
PubChem CID167926452
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one
SMILESCOc1ccccc1COCC(O)COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C19H20O6/c1-22-18-5-3-2-4-13(18)9-23-10-14(20)11-24-15-6-7-16-17(21)12-25-19(16)8-15/h2-8,14,20H,9-12H2,1H3
InChIKeyMJQCGQLFOWHTOG-UHFFFAOYSA-N
XLogP2.23
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one
CID 63989056
2-[4-[2-hydroxy-3-[(3-oxo-1-benzofuran-6-yl)oxy]propoxy]phenyl]acetonitrile
CID 167961672
6-methoxy-1-benzofuran-3-one
CID 585368
1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 110017824
6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503
(2R)-1-amino-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 97180175
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide
CID 22457454
1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111488960
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
(3-oxo-1-benzofuran-6-yl) 3,4-dimethoxybenzoate
CID 732048
3-[[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]thiolan-2-one
CID 45352940
6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one
CID 63097467

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one?
The IUPAC name of 6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one (CID 167926452) is 6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one.
What is the SMILES notation for 6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one?
The canonical SMILES for 6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one is COc1ccccc1COCC(O)COc1ccc2c(c1)OCC2=O.
What is the InChIKey of 6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one?
The InChIKey is MJQCGQLFOWHTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-22-18-5-3-2-4-13(18)9-23-10-14(20)11-24-15-6-7-16-17(21)12-25-19(16)8-15/h2-8,14,20H,9-12H2,1H3.
What are the key properties of 6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one?
6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one has a molecular weight of 344.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one is sourced from PubChem (CID 167926452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).