2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde

C13H16O — CID 12603975

IUPAC2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde
SMILESCCc1ccc(C(C=O)C2CC2)cc1
InChIInChI=1S/C13H16O/c1-2-10-3-5-11(6-4-10)13(9-14)12-7-8-12/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeyMBUYWJYCOAYHSA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.94
Rot. Bonds4

About 2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde

2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde (PubChem CID 12603975) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde
PubChem CID12603975
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde
SMILESCCc1ccc(C(C=O)C2CC2)cc1
InChIInChI=1S/C13H16O/c1-2-10-3-5-11(6-4-10)13(9-14)12-7-8-12/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeyMBUYWJYCOAYHSA-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.94
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-(4-butylphenyl)-2-cyclopropylacetaldehyde
CID 112507846
1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene
CID 82088100
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824
2-cyclopropyl-1-(4-ethylphenyl)propan-1-ol
CID 83148065
2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone
CID 103455896
[2-bromo-2-(4-ethylphenyl)ethyl]cycloheptane
CID 114458721
[2-cyclopropyl-1-(4-ethylphenyl)ethyl]hydrazine
CID 105197252
(4-ethylphenyl)-(3-methylcyclopentyl)methanol
CID 65401353
cyclohexyl-(4-ethylphenyl)methanol
CID 60797623
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
CID 171230830
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde?
The IUPAC name of 2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde (CID 12603975) is 2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde.
What is the SMILES notation for 2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde?
The canonical SMILES for 2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde is CCc1ccc(C(C=O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde?
The InChIKey is MBUYWJYCOAYHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-10-3-5-11(6-4-10)13(9-14)12-7-8-12/h3-6,9,12-13H,2,7-8H2,1H3.
What are the key properties of 2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde?
2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde has a molecular weight of 188.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde is sourced from PubChem (CID 12603975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).