2-(2,5-dimethoxyphenyl)propanal

C11H14O3 — CID 596766

IUPAC2-(2,5-dimethoxyphenyl)propanal
SMILESCOc1ccc(OC)c(C(C)C=O)c1
InChIInChI=1S/C11H14O3/c1-8(7-12)10-6-9(13-2)4-5-11(10)14-3/h4-8H,1-3H3
InChIKeyQFJBSPZGZZMKOD-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.01
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)propanal

2-(2,5-dimethoxyphenyl)propanal (PubChem CID 596766) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)propanal.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)propanal
PubChem CID596766
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(2,5-dimethoxyphenyl)propanal
SMILESCOc1ccc(OC)c(C(C)C=O)c1
InChIInChI=1S/C11H14O3/c1-8(7-12)10-6-9(13-2)4-5-11(10)14-3/h4-8H,1-3H3
InChIKeyQFJBSPZGZZMKOD-UHFFFAOYSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4,5-trimethoxyphenyl)propanal
CID 46896304
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
2-(1-isocyanoethyl)-1,4-dimethoxybenzene
CID 4538904
2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde
CID 89497006
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
2-(2,4-dimethoxyphenyl)propanedial
CID 98587471
3-(2,5-dimethoxyphenyl)pentane-2,4-dione
CID 98661157
methyl 3-(2,5-dimethoxyphenyl)-2-oxobutanoate
CID 112501653
1-(2,5-dimethoxyphenyl)ethyl methanesulfonate
CID 102620734
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)propanal?
The IUPAC name of 2-(2,5-dimethoxyphenyl)propanal (CID 596766) is 2-(2,5-dimethoxyphenyl)propanal.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)propanal?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)propanal is COc1ccc(OC)c(C(C)C=O)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)propanal?
The InChIKey is QFJBSPZGZZMKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(7-12)10-6-9(13-2)4-5-11(10)14-3/h4-8H,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)propanal?
2-(2,5-dimethoxyphenyl)propanal has a molecular weight of 194.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)propanal is sourced from PubChem (CID 596766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).