2-(2-ethyl-4-methylphenyl)acetaldehyde

C11H14O — CID 88578467

IUPAC2-(2-ethyl-4-methylphenyl)acetaldehyde
SMILESCCc1cc(C)ccc1CC=O
InChIInChI=1S/C11H14O/c1-3-10-8-9(2)4-5-11(10)6-7-12/h4-5,7-8H,3,6H2,1-2H3
InChIKeyVXXIESGWTOKNJC-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-ethyl-4-methylphenyl)acetaldehyde

2-(2-ethyl-4-methylphenyl)acetaldehyde (PubChem CID 88578467) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-(2-ethyl-4-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-ethyl-4-methylphenyl)acetaldehyde
PubChem CID88578467
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-(2-ethyl-4-methylphenyl)acetaldehyde
SMILESCCc1cc(C)ccc1CC=O
InChIInChI=1S/C11H14O/c1-3-10-8-9(2)4-5-11(10)6-7-12/h4-5,7-8H,3,6H2,1-2H3
InChIKeyVXXIESGWTOKNJC-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride
CID 167684728
1,2-diethyl-4-methylbenzene;methane
CID 174446118
2-(2-hydroxy-5-methylphenyl)acetaldehyde
CID 23471205
2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
2-ethyl-4-methylbenzaldehyde
CID 58929233
2-ethyl-1-hexyl-4-methylbenzene
CID 155704456
2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde
CID 83878089
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2-(2-ethyl-4-methylphenyl)-N-methylethanamine
CID 142812232
5-methyl-2-propylbenzaldehyde
CID 23586663
2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde
CID 138645682

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methylphenyl)acetaldehyde?
The IUPAC name of 2-(2-ethyl-4-methylphenyl)acetaldehyde (CID 88578467) is 2-(2-ethyl-4-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-(2-ethyl-4-methylphenyl)acetaldehyde?
The canonical SMILES for 2-(2-ethyl-4-methylphenyl)acetaldehyde is CCc1cc(C)ccc1CC=O.
What is the InChIKey of 2-(2-ethyl-4-methylphenyl)acetaldehyde?
The InChIKey is VXXIESGWTOKNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-10-8-9(2)4-5-11(10)6-7-12/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 2-(2-ethyl-4-methylphenyl)acetaldehyde?
2-(2-ethyl-4-methylphenyl)acetaldehyde has a molecular weight of 162.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methylphenyl)acetaldehyde is sourced from PubChem (CID 88578467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).