1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one

C10H10ClIO2 — CID 170836844

IUPAC1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one
SMILESCOc1cc(I)ccc1CC(=O)CCl
InChIInChI=1S/C10H10ClIO2/c1-14-10-5-8(12)3-2-7(10)4-9(13)6-11/h2-3,5H,4,6H2,1H3
InChIKeyLFZNXPFSFCPJGB-UHFFFAOYSA-N
MW324.55 g/mol
LogP2.65
Rot. Bonds4

About 1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one

1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one (PubChem CID 170836844) has the molecular formula C10H10ClIO2 and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one
PubChem CID170836844
Molecular FormulaC10H10ClIO2
Molecular Weight324.55 g/mol
Exact Mass323.94
IUPAC Name1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one
SMILESCOc1cc(I)ccc1CC(=O)CCl
InChIInChI=1S/C10H10ClIO2/c1-14-10-5-8(12)3-2-7(10)4-9(13)6-11/h2-3,5H,4,6H2,1H3
InChIKeyLFZNXPFSFCPJGB-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-3-(4-iodo-2-methoxyphenyl)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

1-ethyl-4-iodo-2-methoxybenzene
CID 90338673
(4-iodo-2-methoxyphenyl)methanamine
CID 91883504
1-chloro-3-[4-iodo-2-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 170836877
2-(4-iodo-2-methoxyphenyl)acetonitrile
CID 91883503
1-chloro-3-(4-methoxy-3-methylphenyl)propan-2-one
CID 134627536
methyl 3-(5-iodo-2-methoxyphenyl)propanoate
CID 82552102
(4-iodo-2-methoxyphenyl) propanoate
CID 129282160
2-chloro-1-(2-chloro-5-iodo-3-methoxyphenyl)ethanone
CID 171003177
1-chloro-3-(2-iodo-5-methylphenyl)propan-2-one
CID 130939127
1-(2-chloro-4-iodophenyl)butan-2-one
CID 147711432
1,4-diiodo-2-methoxybenzene
CID 23154690
4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene
CID 86019037

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one?
The IUPAC name of 1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one (CID 170836844) is 1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one is COc1cc(I)ccc1CC(=O)CCl.
What is the InChIKey of 1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one?
The InChIKey is LFZNXPFSFCPJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIO2/c1-14-10-5-8(12)3-2-7(10)4-9(13)6-11/h2-3,5H,4,6H2,1H3.
What are the key properties of 1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one?
1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one has a molecular weight of 324.55 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 1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one is sourced from PubChem (CID 170836844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).