1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione

C21H24O7 — CID 10572339

IUPAC1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione
SMILESCOc1ccc(C(=O)C(C)C(=O)c2c(OC)cc(OC)c(C)c2O)cc1OC
InChIInChI=1S/C21H24O7/c1-11-15(26-4)10-17(28-6)18(20(11)23)21(24)12(2)19(22)13-7-8-14(25-3)16(9-13)27-5/h7-10,12,23H,1-6H3
InChIKeyDFDWDGCDLPIWJJ-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.44
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione

1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione (PubChem CID 10572339) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione
PubChem CID10572339
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione
SMILESCOc1ccc(C(=O)C(C)C(=O)c2c(OC)cc(OC)c(C)c2O)cc1OC
InChIInChI=1S/C21H24O7/c1-11-15(26-4)10-17(28-6)18(20(11)23)21(24)12(2)19(22)13-7-8-14(25-3)16(9-13)27-5/h7-10,12,23H,1-6H3
InChIKeyDFDWDGCDLPIWJJ-UHFFFAOYSA-N
XLogP3.44
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 116918171
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
(2S)-3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanenitrile
CID 34957180
2-bromo-1-(3,4-dimethoxyphenyl)-2-methoxyethanone
CID 19388505
2-bromo-1-(3,4-dimethoxyphenyl)-2-fluoroethanone
CID 57154420
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
1-(3,4-dimethoxyphenyl)-3-methylbutane-1,2-dione
CID 94686678
1-(3,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)sulfanylpropan-1-one
CID 60603523
3-[(2S)-3-[4-(3,3-dimethylbutanoyl)-3-hydroxy-2-methylphenoxy]-2-methylpropoxy]-4-methoxybenzoic acid
CID 164609979
3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal
CID 10860483
[4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate
CID 54123308
2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 82100905

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione (CID 10572339) is 1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione is COc1ccc(C(=O)C(C)C(=O)c2c(OC)cc(OC)c(C)c2O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione?
The InChIKey is DFDWDGCDLPIWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O7/c1-11-15(26-4)10-17(28-6)18(20(11)23)21(24)12(2)19(22)13-7-8-14(25-3)16(9-13)27-5/h7-10,12,23H,1-6H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione?
1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione has a molecular weight of 388.42 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-2-methylpropane-1,3-dione is sourced from PubChem (CID 10572339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).