3-(2,3-dimethoxy-6-methylphenyl)propanal

C12H16O3 — CID 117297640

IUPAC3-(2,3-dimethoxy-6-methylphenyl)propanal
SMILESCOc1ccc(C)c(CCC=O)c1OC
InChIInChI=1S/C12H16O3/c1-9-6-7-11(14-2)12(15-3)10(9)5-4-8-13/h6-8H,4-5H2,1-3H3
InChIKeyJIMMTSULOIYBGW-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.14
Rot. Bonds5

About 3-(2,3-dimethoxy-6-methylphenyl)propanal

3-(2,3-dimethoxy-6-methylphenyl)propanal (PubChem CID 117297640) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2,3-dimethoxy-6-methylphenyl)propanal.

Molecular Properties

Compound Name3-(2,3-dimethoxy-6-methylphenyl)propanal
PubChem CID117297640
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-(2,3-dimethoxy-6-methylphenyl)propanal
SMILESCOc1ccc(C)c(CCC=O)c1OC
InChIInChI=1S/C12H16O3/c1-9-6-7-11(14-2)12(15-3)10(9)5-4-8-13/h6-8H,4-5H2,1-3H3
InChIKeyJIMMTSULOIYBGW-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.14
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

3-(6-bromo-2,3-dimethoxyphenyl)propanal
CID 117434965
3-(3,4-dimethoxy-2-methylphenyl)propanal
CID 117297630
3-(2-bromo-3,6-dimethoxyphenyl)propanal
CID 117435067
1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine
CID 105496609
3-(3,4-dimethoxy-2-methylsulfanylphenyl)propanal
CID 117353644
3-(2,6-dimethylphenyl)propanal
CID 73014071
3-(5-methoxy-1H-indol-4-yl)propanal
CID 117291568
5-(4-methoxy-2,3-dimethylphenyl)pentanal
CID 98014243
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
3-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propanal
CID 117434961
3-(2-hydroxy-3-methoxy-6-propan-2-ylphenyl)propanal
CID 117318262
propanal;1,2,3-trimethoxybenzene
CID 174975216

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxy-6-methylphenyl)propanal?
The IUPAC name of 3-(2,3-dimethoxy-6-methylphenyl)propanal (CID 117297640) is 3-(2,3-dimethoxy-6-methylphenyl)propanal.
What is the SMILES notation for 3-(2,3-dimethoxy-6-methylphenyl)propanal?
The canonical SMILES for 3-(2,3-dimethoxy-6-methylphenyl)propanal is COc1ccc(C)c(CCC=O)c1OC.
What is the InChIKey of 3-(2,3-dimethoxy-6-methylphenyl)propanal?
The InChIKey is JIMMTSULOIYBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-6-7-11(14-2)12(15-3)10(9)5-4-8-13/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-(2,3-dimethoxy-6-methylphenyl)propanal?
3-(2,3-dimethoxy-6-methylphenyl)propanal has a molecular weight of 208.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxy-6-methylphenyl)propanal is sourced from PubChem (CID 117297640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).