2-(2,4-dimethoxyphenyl)propanedial

C11H12O4 — CID 98587471

IUPAC2-(2,4-dimethoxyphenyl)propanedial
SMILESCOc1ccc(C(C=O)C=O)c(OC)c1
InChIInChI=1S/C11H12O4/c1-14-9-3-4-10(8(6-12)7-13)11(5-9)15-2/h3-8H,1-2H3
InChIKeyYOCCYGXWMVFRFH-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.19
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)propanedial

2-(2,4-dimethoxyphenyl)propanedial (PubChem CID 98587471) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)propanedial.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)propanedial
PubChem CID98587471
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(2,4-dimethoxyphenyl)propanedial
SMILESCOc1ccc(C(C=O)C=O)c(OC)c1
InChIInChI=1S/C11H12O4/c1-14-9-3-4-10(8(6-12)7-13)11(5-9)15-2/h3-8H,1-2H3
InChIKeyYOCCYGXWMVFRFH-UHFFFAOYSA-N
XLogP1.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-(2,4-dimethoxyphenyl)butanal
CID 83834095
2-(2,5-dimethoxyphenyl)propanal
CID 596766
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde
CID 91807684
(E)-4-(2,4-dimethoxyphenyl)-4-(dimethylamino)but-2-enoic acid
CID 116910737
2,4-dimethoxy-1-(1-nitroprop-2-enyl)benzene
CID 87647000
(2,4-dimethoxyphenyl) formate
CID 11137749
[1-(2,4-dimethoxyphenyl)-2,3-dimethylbutyl]hydrazine
CID 105304556

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)propanedial?
The IUPAC name of 2-(2,4-dimethoxyphenyl)propanedial (CID 98587471) is 2-(2,4-dimethoxyphenyl)propanedial.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)propanedial?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)propanedial is COc1ccc(C(C=O)C=O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)propanedial?
The InChIKey is YOCCYGXWMVFRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-9-3-4-10(8(6-12)7-13)11(5-9)15-2/h3-8H,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)propanedial?
2-(2,4-dimethoxyphenyl)propanedial has a molecular weight of 208.21 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)propanedial is sourced from PubChem (CID 98587471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).