4-(3-iodophenoxy)butan-2-one

C10H11IO2 — CID 62031790

IUPAC4-(3-iodophenoxy)butan-2-one
SMILESCC(=O)CCOc1cccc(I)c1
InChIInChI=1S/C10H11IO2/c1-8(12)5-6-13-10-4-2-3-9(11)7-10/h2-4,7H,5-6H2,1H3
InChIKeyFIKYDEMIFLTMLI-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.65
Rot. Bonds4

About 4-(3-iodophenoxy)butan-2-one

4-(3-iodophenoxy)butan-2-one (PubChem CID 62031790) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 4-(3-iodophenoxy)butan-2-one.

Molecular Properties

Compound Name4-(3-iodophenoxy)butan-2-one
PubChem CID62031790
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name4-(3-iodophenoxy)butan-2-one
SMILESCC(=O)CCOc1cccc(I)c1
InChIInChI=1S/C10H11IO2/c1-8(12)5-6-13-10-4-2-3-9(11)7-10/h2-4,7H,5-6H2,1H3
InChIKeyFIKYDEMIFLTMLI-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-iodophenoxy)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-iodophenoxy)-N-propan-2-ylpropanamide
CID 55210430
4-(3-nitrophenoxy)butan-2-one
CID 60693072
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
3-[3-(3-iodophenoxy)propyl-methylamino]-2-methylpropanoic acid
CID 122120224
(3-iodophenyl) butanoate
CID 613173
methyl 4-(3-iodophenoxy)-2-methylbut-2-enoate
CID 77074437
3-(3-iodophenoxy)-2-methylpropanamide
CID 61400057
N-ethyl-2-(3-iodophenoxy)acetamide
CID 35964603
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
3-(3-iodophenoxy)propanenitrile
CID 43087164
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
2-(3-iodophenoxy)acetaldehyde
CID 54101837

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodophenoxy)butan-2-one?
The IUPAC name of 4-(3-iodophenoxy)butan-2-one (CID 62031790) is 4-(3-iodophenoxy)butan-2-one.
What is the SMILES notation for 4-(3-iodophenoxy)butan-2-one?
The canonical SMILES for 4-(3-iodophenoxy)butan-2-one is CC(=O)CCOc1cccc(I)c1.
What is the InChIKey of 4-(3-iodophenoxy)butan-2-one?
The InChIKey is FIKYDEMIFLTMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO2/c1-8(12)5-6-13-10-4-2-3-9(11)7-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 4-(3-iodophenoxy)butan-2-one?
4-(3-iodophenoxy)butan-2-one has a molecular weight of 290.10 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodophenoxy)butan-2-one is sourced from PubChem (CID 62031790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).