2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde

C11H12O5 — CID 7578619

IUPAC2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
SMILESCOc1cc(OC)c(C(=O)C=O)c(OC)c1
InChIInChI=1S/C11H12O5/c1-14-7-4-9(15-2)11(8(13)6-12)10(5-7)16-3/h4-6H,1-3H3
InChIKeyMRFBWHFGXICSDA-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.09
Rot. Bonds5

About 2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde

2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde (PubChem CID 7578619) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
PubChem CID7578619
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
SMILESCOc1cc(OC)c(C(=O)C=O)c(OC)c1
InChIInChI=1S/C11H12O5/c1-14-7-4-9(15-2)11(8(13)6-12)10(5-7)16-3/h4-6H,1-3H3
InChIKeyMRFBWHFGXICSDA-UHFFFAOYSA-N
XLogP1.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566
(E)-3-(2,6-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 16754161
(E)-3-(3,5-difluorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 139593021
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
1-(2,4,6-trimethoxyphenyl)prop-2-yn-1-one
CID 119085445
4-[(E)-3-oxo-3-(2,4,6-trimethoxyphenyl)prop-1-enyl]benzoic acid
CID 10020239
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
1-(2,4-dimethoxy-6-sulfanylphenyl)ethanone
CID 86747405
2,4,6-trimethoxy-N-methyl-N-oxidobenzamide
CID 163503558
(E)-3-(2-fluorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 127043928
3,3-dimethoxy-2-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one
CID 10249801
1-(2,4,6-trimethoxybenzoyl)cyclopropane-1-carbonitrile
CID 116920867

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde?
The IUPAC name of 2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde (CID 7578619) is 2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde?
The canonical SMILES for 2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde is COc1cc(OC)c(C(=O)C=O)c(OC)c1.
What is the InChIKey of 2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde?
The InChIKey is MRFBWHFGXICSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-14-7-4-9(15-2)11(8(13)6-12)10(5-7)16-3/h4-6H,1-3H3.
What are the key properties of 2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde?
2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde has a molecular weight of 224.21 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde is sourced from PubChem (CID 7578619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).