2-(3-ethyl-5-methylphenyl)propanal

C12H16O — CID 134640033

IUPAC2-(3-ethyl-5-methylphenyl)propanal
SMILESCCc1cc(C)cc(C(C)C=O)c1
InChIInChI=1S/C12H16O/c1-4-11-5-9(2)6-12(7-11)10(3)8-13/h5-8,10H,4H2,1-3H3
InChIKeyWEYCDJBZCNGSPQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.86
Rot. Bonds3

About 2-(3-ethyl-5-methylphenyl)propanal

2-(3-ethyl-5-methylphenyl)propanal (PubChem CID 134640033) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(3-ethyl-5-methylphenyl)propanal.

Molecular Properties

Compound Name2-(3-ethyl-5-methylphenyl)propanal
PubChem CID134640033
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-(3-ethyl-5-methylphenyl)propanal
SMILESCCc1cc(C)cc(C(C)C=O)c1
InChIInChI=1S/C12H16O/c1-4-11-5-9(2)6-12(7-11)10(3)8-13/h5-8,10H,4H2,1-3H3
InChIKeyWEYCDJBZCNGSPQ-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.86
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-(3-bromo-5-ethylphenyl)propanal
CID 134639873
2-[3-(bromomethyl)-5-ethylphenyl]propanal
CID 134639779
2-(3-ethyl-5-methoxyphenyl)propanal
CID 134639392
bis(3-ethyl-5-methylphenyl)methanamine
CID 141070007
(2R)-2-(3-methylphenyl)propanal
CID 15372593
(2S)-2-(3-methylphenyl)propanal
CID 124547254
2-(3-propylphenyl)propanal
CID 105436614
1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
CID 159034335
2-(3,5-dichlorophenyl)propanal
CID 54061579
2-(3-amino-4-ethylphenyl)propanal
CID 134639349
2-[3-(2-methylpropyl)phenyl]propanal
CID 105444490
1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
CID 175315928

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-methylphenyl)propanal?
The IUPAC name of 2-(3-ethyl-5-methylphenyl)propanal (CID 134640033) is 2-(3-ethyl-5-methylphenyl)propanal.
What is the SMILES notation for 2-(3-ethyl-5-methylphenyl)propanal?
The canonical SMILES for 2-(3-ethyl-5-methylphenyl)propanal is CCc1cc(C)cc(C(C)C=O)c1.
What is the InChIKey of 2-(3-ethyl-5-methylphenyl)propanal?
The InChIKey is WEYCDJBZCNGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-11-5-9(2)6-12(7-11)10(3)8-13/h5-8,10H,4H2,1-3H3.
What are the key properties of 2-(3-ethyl-5-methylphenyl)propanal?
2-(3-ethyl-5-methylphenyl)propanal has a molecular weight of 176.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-methylphenyl)propanal is sourced from PubChem (CID 134640033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).