4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one

C19H18O7 — CID 74076226

IUPAC4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one
SMILESCC=Cc1occ(C2OC(=O)c3cc(OC)cc(OC)c32)c(=O)c1OC
InChIInChI=1S/C19H18O7/c1-5-6-13-18(24-4)16(20)12(9-25-13)17-15-11(19(21)26-17)7-10(22-2)8-14(15)23-3/h5-9,17H,1-4H3
InChIKeyCFDIKEGTRYTKPN-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.96
Rot. Bonds5

About 4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one

4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one (PubChem CID 74076226) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is 4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one
PubChem CID74076226
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one
SMILESCC=Cc1occ(C2OC(=O)c3cc(OC)cc(OC)c32)c(=O)c1OC
InChIInChI=1S/C19H18O7/c1-5-6-13-18(24-4)16(20)12(9-25-13)17-15-11(19(21)26-17)7-10(22-2)8-14(15)23-3/h5-9,17H,1-4H3
InChIKeyCFDIKEGTRYTKPN-UHFFFAOYSA-N
XLogP2.96
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one with MolForge

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Related Compounds

(3R)-6-hydroxy-4-methoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one
CID 163065366
(3R)-3-[6-(2-hydroxypropyl)-4-oxopyran-3-yl]-4,6-dimethoxy-3H-2-benzofuran-1-one
CID 77461059
3-(3-bromo-2,5-dimethoxyphenyl)-4-methoxy-3H-2-benzofuran-1-one
CID 134937764
3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one
CID 134937765
3-(2,5-dimethoxyphenyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-one
CID 13448509
(3S)-4,5,7,9-tetramethoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one
CID 102153262
1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene
CID 10443032
methyl 4-[(1S)-4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dimethoxybenzoate
CID 5324642
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381
3-(3,4,5-trimethoxyphenyl)-3H-2-benzofuran-1-one
CID 59921138
1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one
CID 139864325
3-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethoxyphenyl)-1H-isochromene
CID 102369607

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one?
The IUPAC name of 4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one (CID 74076226) is 4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for 4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one is CC=Cc1occ(C2OC(=O)c3cc(OC)cc(OC)c32)c(=O)c1OC.
What is the InChIKey of 4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one?
The InChIKey is CFDIKEGTRYTKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-5-6-13-18(24-4)16(20)12(9-25-13)17-15-11(19(21)26-17)7-10(22-2)8-14(15)23-3/h5-9,17H,1-4H3.
What are the key properties of 4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one?
4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one has a molecular weight of 358.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 74076226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).