4-ethylbenzaldehyde

C9H10O — CID 20861

IUPAC4-ethylbenzaldehyde
SMILESCCc1ccc(C=O)cc1
InChIInChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3
InChIKeyQNGNSVIICDLXHT-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.06
Rot. Bonds2

About 4-ethylbenzaldehyde

4-ethylbenzaldehyde (PubChem CID 20861) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-ethylbenzaldehyde.

Molecular Properties

Compound Name4-ethylbenzaldehyde
PubChem CID20861
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name4-ethylbenzaldehyde
SMILESCCc1ccc(C=O)cc1
InChIInChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3
InChIKeyQNGNSVIICDLXHT-UHFFFAOYSA-N
XLogP2.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.06
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

Benzaldehyde
CID 240
Benzophenone
CID 3102
Acetophenone
CID 7410
Phthalaldehyde
CID 4807
Phenylacetaldehyde
CID 998
Lilial
CID 228987
Cyclamen aldehyde
CID 517827
4-Methylbenzaldehyde
CID 7725
alpha-Hexylcinnamaldehyde
CID 1550884
1-Phenyl-1-propanone
CID 7148
1-Phenyl-1,2-propanedione
CID 11363
Benzenepropanal
CID 7707

Frequently Asked Questions

What is the IUPAC name of 4-ethylbenzaldehyde?
The IUPAC name of 4-ethylbenzaldehyde (CID 20861) is 4-ethylbenzaldehyde.
What is the SMILES notation for 4-ethylbenzaldehyde?
The canonical SMILES for 4-ethylbenzaldehyde is CCc1ccc(C=O)cc1.
What is the InChIKey of 4-ethylbenzaldehyde?
The InChIKey is QNGNSVIICDLXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3.
What are the key properties of 4-ethylbenzaldehyde?
4-ethylbenzaldehyde has a molecular weight of 134.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylbenzaldehyde is sourced from PubChem (CID 20861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).