2-(4-ethyl-2-iodophenyl)propanal

C11H13IO — CID 134639689

IUPAC2-(4-ethyl-2-iodophenyl)propanal
SMILESCCc1ccc(C(C)C=O)c(I)c1
InChIInChI=1S/C11H13IO/c1-3-9-4-5-10(8(2)7-13)11(12)6-9/h4-8H,3H2,1-2H3
InChIKeyZLYFXXZBJSIVBV-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.16
Rot. Bonds3

About 2-(4-ethyl-2-iodophenyl)propanal

2-(4-ethyl-2-iodophenyl)propanal (PubChem CID 134639689) has the molecular formula C11H13IO and a molecular weight of 288.13 g/mol. Its IUPAC name is 2-(4-ethyl-2-iodophenyl)propanal.

Molecular Properties

Compound Name2-(4-ethyl-2-iodophenyl)propanal
PubChem CID134639689
Molecular FormulaC11H13IO
Molecular Weight288.13 g/mol
Exact Mass288.00
IUPAC Name2-(4-ethyl-2-iodophenyl)propanal
SMILESCCc1ccc(C(C)C=O)c(I)c1
InChIInChI=1S/C11H13IO/c1-3-9-4-5-10(8(2)7-13)11(12)6-9/h4-8H,3H2,1-2H3
InChIKeyZLYFXXZBJSIVBV-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-iodophenyl)propanal
CID 134639886
2-(2-iodo-5-sulfanylphenyl)propanal
CID 134639371
2-[2-(chloromethyl)-3-iodophenyl]propanal
CID 134639770
2-(3-ethyl-5-methylphenyl)propanal
CID 134640033
2-(2,4-dihydroxy-3-iodophenyl)propanal
CID 174531165
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
3-ethoxy-4-(1-oxopropan-2-yl)benzaldehyde
CID 134640111
2-(2-ethyl-3-sulfanylphenyl)propanal
CID 134639691
2-(3-bromo-5-ethylphenyl)propanal
CID 134639873
(Z)-2-(5-ethyl-2-propan-2-ylphenyl)ethenamine
CID 134408617

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-iodophenyl)propanal?
The IUPAC name of 2-(4-ethyl-2-iodophenyl)propanal (CID 134639689) is 2-(4-ethyl-2-iodophenyl)propanal.
What is the SMILES notation for 2-(4-ethyl-2-iodophenyl)propanal?
The canonical SMILES for 2-(4-ethyl-2-iodophenyl)propanal is CCc1ccc(C(C)C=O)c(I)c1.
What is the InChIKey of 2-(4-ethyl-2-iodophenyl)propanal?
The InChIKey is ZLYFXXZBJSIVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO/c1-3-9-4-5-10(8(2)7-13)11(12)6-9/h4-8H,3H2,1-2H3.
What are the key properties of 2-(4-ethyl-2-iodophenyl)propanal?
2-(4-ethyl-2-iodophenyl)propanal has a molecular weight of 288.13 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-iodophenyl)propanal is sourced from PubChem (CID 134639689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).