1-(4-iodo-3-methoxyphenoxy)propan-2-one

C10H11IO3 — CID 59267144

IUPAC1-(4-iodo-3-methoxyphenoxy)propan-2-one
SMILESCOc1cc(OCC(C)=O)ccc1I
InChIInChI=1S/C10H11IO3/c1-7(12)6-14-8-3-4-9(11)10(5-8)13-2/h3-5H,6H2,1-2H3
InChIKeyCPIOQJGLPGPGPX-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.27
Rot. Bonds4

About 1-(4-iodo-3-methoxyphenoxy)propan-2-one

1-(4-iodo-3-methoxyphenoxy)propan-2-one (PubChem CID 59267144) has the molecular formula C10H11IO3 and a molecular weight of 306.10 g/mol. Its IUPAC name is 1-(4-iodo-3-methoxyphenoxy)propan-2-one.

Molecular Properties

Compound Name1-(4-iodo-3-methoxyphenoxy)propan-2-one
PubChem CID59267144
Molecular FormulaC10H11IO3
Molecular Weight306.10 g/mol
Exact Mass305.98
IUPAC Name1-(4-iodo-3-methoxyphenoxy)propan-2-one
SMILESCOc1cc(OCC(C)=O)ccc1I
InChIInChI=1S/C10H11IO3/c1-7(12)6-14-8-3-4-9(11)10(5-8)13-2/h3-5H,6H2,1-2H3
InChIKeyCPIOQJGLPGPGPX-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-iodo-3-methoxyphenoxy)propan-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

2-methoxy-4-(2-oxopropoxy)benzamide
CID 91220438
1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
CID 134691477
1-[4-(4-iodophenyl)phenoxy]propan-2-one
CID 60624034
1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene
CID 166445394
1-iodo-2-methoxy-4-propan-2-yloxybenzene
CID 131308611
1-(4-ethylphenoxy)propan-2-one
CID 21325379
methyl 2-chloro-2-[4-(2-oxopropoxy)phenyl]acetate
CID 174270633
N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide
CID 55577746
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
5-methoxy-2-(2-oxopropoxy)benzonitrile
CID 2917169
1-(4-methoxyphenoxy)butane-2,3-dione
CID 69127399

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-3-methoxyphenoxy)propan-2-one?
The IUPAC name of 1-(4-iodo-3-methoxyphenoxy)propan-2-one (CID 59267144) is 1-(4-iodo-3-methoxyphenoxy)propan-2-one.
What is the SMILES notation for 1-(4-iodo-3-methoxyphenoxy)propan-2-one?
The canonical SMILES for 1-(4-iodo-3-methoxyphenoxy)propan-2-one is COc1cc(OCC(C)=O)ccc1I.
What is the InChIKey of 1-(4-iodo-3-methoxyphenoxy)propan-2-one?
The InChIKey is CPIOQJGLPGPGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO3/c1-7(12)6-14-8-3-4-9(11)10(5-8)13-2/h3-5H,6H2,1-2H3.
What are the key properties of 1-(4-iodo-3-methoxyphenoxy)propan-2-one?
1-(4-iodo-3-methoxyphenoxy)propan-2-one has a molecular weight of 306.10 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-3-methoxyphenoxy)propan-2-one is sourced from PubChem (CID 59267144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).