3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one

C20H24O7 — CID 10926906

IUPAC3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(O)CC(=O)c2ccc(OC)c(OC)c2OC)c(OC)c1
InChIInChI=1S/C20H24O7/c1-23-12-6-7-13(18(10-12)25-3)15(21)11-16(22)14-8-9-17(24-2)20(27-5)19(14)26-4/h6-10,15,21H,11H2,1-5H3
InChIKeyZBZGSLVSVIWBJC-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.04
Rot. Bonds9

About 3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one

3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one (PubChem CID 10926906) has the molecular formula C20H24O7 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one
PubChem CID10926906
Molecular FormulaC20H24O7
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Name3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(O)CC(=O)c2ccc(OC)c(OC)c2OC)c(OC)c1
InChIInChI=1S/C20H24O7/c1-23-12-6-7-13(18(10-12)25-3)15(21)11-16(22)14-8-9-17(24-2)20(27-5)19(14)26-4/h6-10,15,21H,11H2,1-5H3
InChIKeyZBZGSLVSVIWBJC-UHFFFAOYSA-N
XLogP3.04
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one
CID 11530050
N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 112511023
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65131405
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
1-(2,4-dimethoxyphenyl)-3,3-diethoxypropan-1-one
CID 115480623
1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927728

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one (CID 10926906) is 3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one is COc1ccc(C(O)CC(=O)c2ccc(OC)c(OC)c2OC)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one?
The InChIKey is ZBZGSLVSVIWBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O7/c1-23-12-6-7-13(18(10-12)25-3)15(21)11-16(22)14-8-9-17(24-2)20(27-5)19(14)26-4/h6-10,15,21H,11H2,1-5H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one?
3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one has a molecular weight of 376.41 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 10926906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).