2-[2-(chloromethyl)-3-iodophenyl]propanal

C10H10ClIO — CID 134639770

IUPAC2-[2-(chloromethyl)-3-iodophenyl]propanal
SMILESCC(C=O)c1cccc(I)c1CCl
InChIInChI=1S/C10H10ClIO/c1-7(6-13)8-3-2-4-10(12)9(8)5-11/h2-4,6-7H,5H2,1H3
InChIKeyBMPDXUOIZOUMJN-UHFFFAOYSA-N
MW308.55 g/mol
LogP3.33
Rot. Bonds3

About 2-[2-(chloromethyl)-3-iodophenyl]propanal

2-[2-(chloromethyl)-3-iodophenyl]propanal (PubChem CID 134639770) has the molecular formula C10H10ClIO and a molecular weight of 308.55 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-3-iodophenyl]propanal.

Molecular Properties

Compound Name2-[2-(chloromethyl)-3-iodophenyl]propanal
PubChem CID134639770
Molecular FormulaC10H10ClIO
Molecular Weight308.55 g/mol
Exact Mass307.95
IUPAC Name2-[2-(chloromethyl)-3-iodophenyl]propanal
SMILESCC(C=O)c1cccc(I)c1CCl
InChIInChI=1S/C10H10ClIO/c1-7(6-13)8-3-2-4-10(12)9(8)5-11/h2-4,6-7H,5H2,1H3
InChIKeyBMPDXUOIZOUMJN-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethyl-2-iodophenyl)propanal
CID 134639687
2-(2-ethyl-3-sulfanylphenyl)propanal
CID 134639691
2-iodo-3-(1-oxopropan-2-yl)benzaldehyde
CID 134640100
2-(2-chloro-3-ethylphenyl)propanal
CID 134639593
2-[2,3-bis(sulfanyl)phenyl]propanal
CID 134639273
1,3-diiodo-2-(2-methylpropyl)benzene
CID 59615643
2-(4-ethyl-2-iodophenyl)propanal
CID 134639689
1-(1-chloropropan-2-yl)-2-iodobenzene
CID 71337351
2-(3-fluoro-2-sulfanylphenyl)propanal
CID 134640182
2-(4-amino-2-iodophenyl)propanal
CID 134639886
2-(2-iodo-5-sulfanylphenyl)propanal
CID 134639371
2-[3-(difluoromethyl)-2-ethoxyphenyl]propanal
CID 134639454

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-3-iodophenyl]propanal?
The IUPAC name of 2-[2-(chloromethyl)-3-iodophenyl]propanal (CID 134639770) is 2-[2-(chloromethyl)-3-iodophenyl]propanal.
What is the SMILES notation for 2-[2-(chloromethyl)-3-iodophenyl]propanal?
The canonical SMILES for 2-[2-(chloromethyl)-3-iodophenyl]propanal is CC(C=O)c1cccc(I)c1CCl.
What is the InChIKey of 2-[2-(chloromethyl)-3-iodophenyl]propanal?
The InChIKey is BMPDXUOIZOUMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIO/c1-7(6-13)8-3-2-4-10(12)9(8)5-11/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-[2-(chloromethyl)-3-iodophenyl]propanal?
2-[2-(chloromethyl)-3-iodophenyl]propanal has a molecular weight of 308.55 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-3-iodophenyl]propanal is sourced from PubChem (CID 134639770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).