2-(2-iodo-5-methoxyphenyl)acetaldehyde

C9H9IO2 — CID 18627927

IUPAC2-(2-iodo-5-methoxyphenyl)acetaldehyde
SMILESCOc1ccc(I)c(CC=O)c1
InChIInChI=1S/C9H9IO2/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,5-6H,4H2,1H3
InChIKeyRULKIALLKOFCBU-UHFFFAOYSA-N
MW276.07 g/mol
LogP2.04
Rot. Bonds3

About 2-(2-iodo-5-methoxyphenyl)acetaldehyde

2-(2-iodo-5-methoxyphenyl)acetaldehyde (PubChem CID 18627927) has the molecular formula C9H9IO2 and a molecular weight of 276.07 g/mol. Its IUPAC name is 2-(2-iodo-5-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-iodo-5-methoxyphenyl)acetaldehyde
PubChem CID18627927
Molecular FormulaC9H9IO2
Molecular Weight276.07 g/mol
Exact Mass275.96
IUPAC Name2-(2-iodo-5-methoxyphenyl)acetaldehyde
SMILESCOc1ccc(I)c(CC=O)c1
InChIInChI=1S/C9H9IO2/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,5-6H,4H2,1H3
InChIKeyRULKIALLKOFCBU-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
4-methoxy-2-(2-oxoethyl)benzoic acid
CID 75466148
2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde
CID 117195628
2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde
CID 57172465
3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide
CID 14025499
1-iodo-4-methoxy-2-(7-methoxyheptyl)benzene
CID 71011594
2-(but-2-ynoxymethyl)-1-iodo-4-methoxybenzene
CID 86215946
2-iodo-5-methoxyaniline
CID 11139508
2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide
CID 22292772
2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
CID 141043717
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
3-[2-(difluoromethyl)-5-methoxyphenyl]propanal
CID 117305190

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-5-methoxyphenyl)acetaldehyde?
The IUPAC name of 2-(2-iodo-5-methoxyphenyl)acetaldehyde (CID 18627927) is 2-(2-iodo-5-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(2-iodo-5-methoxyphenyl)acetaldehyde?
The canonical SMILES for 2-(2-iodo-5-methoxyphenyl)acetaldehyde is COc1ccc(I)c(CC=O)c1.
What is the InChIKey of 2-(2-iodo-5-methoxyphenyl)acetaldehyde?
The InChIKey is RULKIALLKOFCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO2/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(2-iodo-5-methoxyphenyl)acetaldehyde?
2-(2-iodo-5-methoxyphenyl)acetaldehyde has a molecular weight of 276.07 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-5-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 18627927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).