2-(3-iodophenoxy)acetaldehyde

C8H7IO2 — CID 54101837

IUPAC2-(3-iodophenoxy)acetaldehyde
SMILESO=CCOc1cccc(I)c1
InChIInChI=1S/C8H7IO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-4,6H,5H2
InChIKeyDSMGRUDRPPUGCB-UHFFFAOYSA-N
MW262.05 g/mol
LogP1.87
Rot. Bonds3

About 2-(3-iodophenoxy)acetaldehyde

2-(3-iodophenoxy)acetaldehyde (PubChem CID 54101837) has the molecular formula C8H7IO2 and a molecular weight of 262.05 g/mol. Its IUPAC name is 2-(3-iodophenoxy)acetaldehyde.

Molecular Properties

Compound Name2-(3-iodophenoxy)acetaldehyde
PubChem CID54101837
Molecular FormulaC8H7IO2
Molecular Weight262.05 g/mol
Exact Mass261.95
IUPAC Name2-(3-iodophenoxy)acetaldehyde
SMILESO=CCOc1cccc(I)c1
InChIInChI=1S/C8H7IO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-4,6H,5H2
InChIKeyDSMGRUDRPPUGCB-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 51.87
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-(3-methoxyphenoxy)acetaldehyde
CID 15692237
2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
CID 163403817
2-(3-propoxyphenoxy)acetaldehyde
CID 158555885
methanamine;3-(2-oxoethoxy)benzaldehyde
CID 169139038
methyl 4-(3-iodophenoxy)-2-methylbut-2-enoate
CID 77074437
2-[3-(aminooxymethyl)phenoxy]acetaldehyde
CID 130193211
2-naphthalen-2-yloxyacetaldehyde
CID 15670594
3-(3-iodophenoxy)-2-methylpropanamide
CID 61400057
4-(3-iodophenoxy)butan-2-one
CID 62031790
3-(3-iodophenoxy)propanenitrile
CID 43087164
2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid
CID 113314320
4-[(3-iodophenoxy)methyl]aniline
CID 43144814

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenoxy)acetaldehyde?
The IUPAC name of 2-(3-iodophenoxy)acetaldehyde (CID 54101837) is 2-(3-iodophenoxy)acetaldehyde.
What is the SMILES notation for 2-(3-iodophenoxy)acetaldehyde?
The canonical SMILES for 2-(3-iodophenoxy)acetaldehyde is O=CCOc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenoxy)acetaldehyde?
The InChIKey is DSMGRUDRPPUGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-4,6H,5H2.
What are the key properties of 2-(3-iodophenoxy)acetaldehyde?
2-(3-iodophenoxy)acetaldehyde has a molecular weight of 262.05 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenoxy)acetaldehyde is sourced from PubChem (CID 54101837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).