3-(2,6-dimethylphenyl)propanal

C11H14O — CID 73014071

IUPAC3-(2,6-dimethylphenyl)propanal
SMILESCc1cccc(C)c1CCC=O
InChIInChI=1S/C11H14O/c1-9-5-3-6-10(2)11(9)7-4-8-12/h3,5-6,8H,4,7H2,1-2H3
InChIKeyFNYPDOIEZBGABA-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.43
Rot. Bonds3

About 3-(2,6-dimethylphenyl)propanal

3-(2,6-dimethylphenyl)propanal (PubChem CID 73014071) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)propanal.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)propanal
PubChem CID73014071
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3-(2,6-dimethylphenyl)propanal
SMILESCc1cccc(C)c1CCC=O
InChIInChI=1S/C11H14O/c1-9-5-3-6-10(2)11(9)7-4-8-12/h3,5-6,8H,4,7H2,1-2H3
InChIKeyFNYPDOIEZBGABA-UHFFFAOYSA-N
XLogP2.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-[3-methyl-2-(3-oxopropyl)phenyl]acetic acid
CID 134657702
3-(2-methylphenyl)propanal
CID 15191870
2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
3-(2-bromo-3-methylphenyl)propanal
CID 117326157
3-(2-amino-4-methyl-3-pyridinyl)propanal
CID 64522521
3-(2,3-dimethoxy-6-methylphenyl)propanal
CID 117297640
2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
CID 139601622
3-[2-(ethylamino)-3-methylphenyl]propanal
CID 143063352
5-(2,6-dihydroxyphenyl)pentanal
CID 142935696
2-(2,6-dimethylphenyl)ethanesulfonamide
CID 13480198
1,3-dimethyl-2-(3-methylbutyl)benzene
CID 59833052
2-but-3-enyl-3-methylbenzamide
CID 141019627

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)propanal?
The IUPAC name of 3-(2,6-dimethylphenyl)propanal (CID 73014071) is 3-(2,6-dimethylphenyl)propanal.
What is the SMILES notation for 3-(2,6-dimethylphenyl)propanal?
The canonical SMILES for 3-(2,6-dimethylphenyl)propanal is Cc1cccc(C)c1CCC=O.
What is the InChIKey of 3-(2,6-dimethylphenyl)propanal?
The InChIKey is FNYPDOIEZBGABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-9-5-3-6-10(2)11(9)7-4-8-12/h3,5-6,8H,4,7H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)propanal?
3-(2,6-dimethylphenyl)propanal has a molecular weight of 162.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)propanal is sourced from PubChem (CID 73014071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).