5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane

C22H30O7 — CID 143904324

IUPAC5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane
SMILESCC.COc1cc(O)cc(OC)c1.COc1cc(OC)c2c(c1)OCC(=O)C2C
InChIInChI=1S/C12H14O4.C8H10O3.C2H6/c1-7-9(13)6-16-11-5-8(14-2)4-10(15-3)12(7)11;1-10-7-3-6(9)4-8(5-7)11-2;1-2/h4-5,7H,6H2,1-3H3;3-5,9H,1-2H3;1-2H3
InChIKeyWFXZSKUVJCFJSF-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.20
Rot. Bonds4

About 5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane

5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane (PubChem CID 143904324) has the molecular formula C22H30O7 and a molecular weight of 406.48 g/mol. Its IUPAC name is 5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane.

Molecular Properties

Compound Name5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane
PubChem CID143904324
Molecular FormulaC22H30O7
Molecular Weight406.48 g/mol
Exact Mass406.20
IUPAC Name5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane
SMILESCC.COc1cc(O)cc(OC)c1.COc1cc(OC)c2c(c1)OCC(=O)C2C
InChIInChI=1S/C12H14O4.C8H10O3.C2H6/c1-7-9(13)6-16-11-5-8(14-2)4-10(15-3)12(7)11;1-10-7-3-6(9)4-8(5-7)11-2;1-2/h4-5,7H,6H2,1-3H3;3-5,9H,1-2H3;1-2H3
InChIKeyWFXZSKUVJCFJSF-UHFFFAOYSA-N
XLogP4.20
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,6,8-tetramethoxy-5-(2,4,6-trimethoxyphenyl)-5H-benzo[d][1,3]benzodioxocine
CID 70993959
(4R)-4-(2-hydroxy-4,6-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171185100
(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252301
(1R,3aR,8bS)-6,8-dimethoxy-1-propan-2-yl-1,2,3a,8b-tetrahydrocyclopenta[b][1]benzofuran-3-one
CID 11311922
(5S)-6,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014321
2-(2-methylpropanoyl)-5-(2,4,6-trimethoxyphenyl)cyclohexane-1,3-dione
CID 52950803
N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 43589787
5,7-dimethoxy-3-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43589774
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
6-methoxy-1-benzofuran-3-one
CID 585368
(4S)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 71533318

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane?
The IUPAC name of 5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane (CID 143904324) is 5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane.
What is the SMILES notation for 5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane?
The canonical SMILES for 5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane is CC.COc1cc(O)cc(OC)c1.COc1cc(OC)c2c(c1)OCC(=O)C2C.
What is the InChIKey of 5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane?
The InChIKey is WFXZSKUVJCFJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4.C8H10O3.C2H6/c1-7-9(13)6-16-11-5-8(14-2)4-10(15-3)12(7)11;1-10-7-3-6(9)4-8(5-7)11-2;1-2/h4-5,7H,6H2,1-3H3;3-5,9H,1-2H3;1-2H3.
What are the key properties of 5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane?
5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane has a molecular weight of 406.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-4-methyl-4H-chromen-3-one;3,5-dimethoxyphenol;ethane is sourced from PubChem (CID 143904324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).