4,6-dimethoxy-2-propyl-1-benzofuran-3-one

C13H16O4 — CID 83048905

IUPAC4,6-dimethoxy-2-propyl-1-benzofuran-3-one
SMILESCCCC1Oc2cc(OC)cc(OC)c2C1=O
InChIInChI=1S/C13H16O4/c1-4-5-9-13(14)12-10(16-3)6-8(15-2)7-11(12)17-9/h6-7,9H,4-5H2,1-3H3
InChIKeyGZNCPXHVJCNIMZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.45
Rot. Bonds4

About 4,6-dimethoxy-2-propyl-1-benzofuran-3-one

4,6-dimethoxy-2-propyl-1-benzofuran-3-one (PubChem CID 83048905) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4,6-dimethoxy-2-propyl-1-benzofuran-3-one.

Molecular Properties

Compound Name4,6-dimethoxy-2-propyl-1-benzofuran-3-one
PubChem CID83048905
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name4,6-dimethoxy-2-propyl-1-benzofuran-3-one
SMILESCCCC1Oc2cc(OC)cc(OC)c2C1=O
InChIInChI=1S/C13H16O4/c1-4-5-9-13(14)12-10(16-3)6-8(15-2)7-11(12)17-9/h6-7,9H,4-5H2,1-3H3
InChIKeyGZNCPXHVJCNIMZ-UHFFFAOYSA-N
XLogP2.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one
CID 23270520
3-decyl-5,7-dimethoxy-3H-2-benzofuran-1-one
CID 134864934
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 154496184
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10403456
5-chloro-4,6-dimethyl-2-propyl-1-benzofuran-3-one
CID 83048904
(2S,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 118983376
[(2S,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 91727421
6,8-dimethoxy-3-pentyl-3,4-dihydroisochromen-1-one
CID 71373264
3-[(1R)-4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]propanal
CID 11379691
2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide
CID 21435235
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 11078443
(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10336604

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-propyl-1-benzofuran-3-one?
The IUPAC name of 4,6-dimethoxy-2-propyl-1-benzofuran-3-one (CID 83048905) is 4,6-dimethoxy-2-propyl-1-benzofuran-3-one.
What is the SMILES notation for 4,6-dimethoxy-2-propyl-1-benzofuran-3-one?
The canonical SMILES for 4,6-dimethoxy-2-propyl-1-benzofuran-3-one is CCCC1Oc2cc(OC)cc(OC)c2C1=O.
What is the InChIKey of 4,6-dimethoxy-2-propyl-1-benzofuran-3-one?
The InChIKey is GZNCPXHVJCNIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-4-5-9-13(14)12-10(16-3)6-8(15-2)7-11(12)17-9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 4,6-dimethoxy-2-propyl-1-benzofuran-3-one?
4,6-dimethoxy-2-propyl-1-benzofuran-3-one has a molecular weight of 236.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-propyl-1-benzofuran-3-one is sourced from PubChem (CID 83048905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).