3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal

C18H18O6 — CID 10860483

IUPAC3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal
SMILESCOc1ccc(C(=O)C(C=O)c2cccc(OC)c2O)cc1OC
InChIInChI=1S/C18H18O6/c1-22-14-8-7-11(9-16(14)24-3)17(20)13(10-19)12-5-4-6-15(23-2)18(12)21/h4-10,13,21H,1-3H3
InChIKeyUEOZDRSJLALCOC-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.58
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal

3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal (PubChem CID 10860483) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal
PubChem CID10860483
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Name3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal
SMILESCOc1ccc(C(=O)C(C=O)c2cccc(OC)c2O)cc1OC
InChIInChI=1S/C18H18O6/c1-22-14-8-7-11(9-16(14)24-3)17(20)13(10-19)12-5-4-6-15(23-2)18(12)21/h4-10,13,21H,1-3H3
InChIKeyUEOZDRSJLALCOC-UHFFFAOYSA-N
XLogP2.58
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-3-methoxyphenyl)propanal
CID 83828156
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one
CID 51136382
2-bromo-1-(3,4-dimethoxyphenyl)-2-fluoroethanone
CID 57154420
2-bromo-1-(3,4-dimethoxyphenyl)-2-methoxyethanone
CID 19388505
3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 116918171
3-(2-hydroxy-3-methoxyphenyl)butanal
CID 83830642
3-(2-hydroxy-3-methoxyphenyl)-1-(2,4,5-trimethoxyphenyl)butan-1-one
CID 10737231
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
3-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-3-oxopropanal
CID 123189211
4,4-bis(3,4-dimethoxyphenyl)but-3-en-2-one
CID 10154443
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal (CID 10860483) is 3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal is COc1ccc(C(=O)C(C=O)c2cccc(OC)c2O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal?
The InChIKey is UEOZDRSJLALCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-22-14-8-7-11(9-16(14)24-3)17(20)13(10-19)12-5-4-6-15(23-2)18(12)21/h4-10,13,21H,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal?
3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal has a molecular weight of 330.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal is sourced from PubChem (CID 10860483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).