1-(3-iodo-4-propan-2-yloxyphenyl)ethanone

C11H13IO2 — CID 153246357

IUPAC1-(3-iodo-4-propan-2-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(OC(C)C)c(I)c1
InChIInChI=1S/C11H13IO2/c1-7(2)14-11-5-4-9(8(3)13)6-10(11)12/h4-7H,1-3H3
InChIKeyWSLNVBWXBWIUSA-UHFFFAOYSA-N
MW304.13 g/mol
LogP3.28
Rot. Bonds3

About 1-(3-iodo-4-propan-2-yloxyphenyl)ethanone

1-(3-iodo-4-propan-2-yloxyphenyl)ethanone (PubChem CID 153246357) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is 1-(3-iodo-4-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-iodo-4-propan-2-yloxyphenyl)ethanone
PubChem CID153246357
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name1-(3-iodo-4-propan-2-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(OC(C)C)c(I)c1
InChIInChI=1S/C11H13IO2/c1-7(2)14-11-5-4-9(8(3)13)6-10(11)12/h4-7H,1-3H3
InChIKeyWSLNVBWXBWIUSA-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-iodo-4-propan-2-yloxyphenyl)ethanone 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

1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone
CID 57071354
1-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]ethanone
CID 118619612
N-(5-acetyl-2-propan-2-yloxyphenyl)-2-methylpropanamide
CID 82156387
(3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647255
1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one
CID 118813012
4-acetyl-2-iodophenolate
CID 154609369
N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide
CID 17355171
1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone
CID 155743488
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
N'-chloro-3-iodo-4-propan-2-yloxy-N'-(4-propoxybenzoyl)benzohydrazide
CID 90113191
2-methyl-1-(3-methyl-4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 82285504

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-4-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-(3-iodo-4-propan-2-yloxyphenyl)ethanone (CID 153246357) is 1-(3-iodo-4-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(3-iodo-4-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-(3-iodo-4-propan-2-yloxyphenyl)ethanone is CC(=O)c1ccc(OC(C)C)c(I)c1.
What is the InChIKey of 1-(3-iodo-4-propan-2-yloxyphenyl)ethanone?
The InChIKey is WSLNVBWXBWIUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO2/c1-7(2)14-11-5-4-9(8(3)13)6-10(11)12/h4-7H,1-3H3.
What are the key properties of 1-(3-iodo-4-propan-2-yloxyphenyl)ethanone?
1-(3-iodo-4-propan-2-yloxyphenyl)ethanone has a molecular weight of 304.13 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-4-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 153246357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).