3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one

C10H10ClIO2 — CID 134638580

IUPAC3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one
SMILESCOc1ccc(I)c(C(=O)CCCl)c1
InChIInChI=1S/C10H10ClIO2/c1-14-7-2-3-9(12)8(6-7)10(13)4-5-11/h2-3,6H,4-5H2,1H3
InChIKeyMVNKMDOASGYQLZ-UHFFFAOYSA-N
MW324.55 g/mol
LogP3.11
Rot. Bonds4

About 3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one

3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one (PubChem CID 134638580) has the molecular formula C10H10ClIO2 and a molecular weight of 324.55 g/mol. Its IUPAC name is 3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one
PubChem CID134638580
Molecular FormulaC10H10ClIO2
Molecular Weight324.55 g/mol
Exact Mass323.94
IUPAC Name3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one
SMILESCOc1ccc(I)c(C(=O)CCCl)c1
InChIInChI=1S/C10H10ClIO2/c1-14-7-2-3-9(12)8(6-7)10(13)4-5-11/h2-3,6H,4-5H2,1H3
InChIKeyMVNKMDOASGYQLZ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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'}

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Related Compounds

3-chloro-1-[2-iodo-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134638540
4-chloro-1-(2-chloro-5-methoxyphenyl)butan-1-one
CID 82050615
5-chloro-1-(2-chloro-5-methoxyphenyl)pentan-1-one
CID 146009620
5-chloro-1-(2,5-dimethoxyphenyl)pentan-1-one
CID 18931430
3-bromo-1-(2-iodo-4-methoxyphenyl)propan-1-one
CID 134638047
3-bromo-1-[5-(difluoromethoxy)-2-iodophenyl]propan-1-one
CID 134625517
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
benzyl 2-iodo-5-methoxybenzoate
CID 172646545
N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
CID 172648728
3-bromo-1-(5-methoxy-2-methylphenyl)propan-1-one
CID 135743351
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82627725

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one?
The IUPAC name of 3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one (CID 134638580) is 3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one is COc1ccc(I)c(C(=O)CCCl)c1.
What is the InChIKey of 3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one?
The InChIKey is MVNKMDOASGYQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIO2/c1-14-7-2-3-9(12)8(6-7)10(13)4-5-11/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one?
3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one has a molecular weight of 324.55 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one is sourced from PubChem (CID 134638580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).