1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one

C10H10ClIO — CID 131034107

IUPAC1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one
SMILESCC(=O)C(Cl)c1ccc(I)cc1C
InChIInChI=1S/C10H10ClIO/c1-6-5-8(12)3-4-9(6)10(11)7(2)13/h3-5,10H,1-2H3
InChIKeyMKFBQYJRHGISRP-UHFFFAOYSA-N
MW308.55 g/mol
LogP3.47
Rot. Bonds2

About 1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one

1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one (PubChem CID 131034107) has the molecular formula C10H10ClIO and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one
PubChem CID131034107
Molecular FormulaC10H10ClIO
Molecular Weight308.55 g/mol
Exact Mass307.95
IUPAC Name1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one
SMILESCC(=O)C(Cl)c1ccc(I)cc1C
InChIInChI=1S/C10H10ClIO/c1-6-5-8(12)3-4-9(6)10(11)7(2)13/h3-5,10H,1-2H3
InChIKeyMKFBQYJRHGISRP-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4-iodophenyl)-1-chloropropan-2-one
CID 130894281
1-(2-bromo-5-iodophenyl)-1-chloropropan-2-one
CID 130867111
4-(1-chloro-2-oxopropyl)-3-methylbenzaldehyde
CID 118807338
2-(4-iodo-2-methylphenyl)propanoic acid
CID 131284979
1-chloro-1-(2-iodo-4-sulfanylphenyl)propan-2-one
CID 131095379
1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one
CID 130777645
1-(4-iodo-2-methylphenyl)ethyl 2-methylprop-2-enoate
CID 170396522
1-chloro-1-[4-(chloromethyl)-2-iodophenyl]propan-2-one
CID 130783196
(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol
CID 66515906
1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one
CID 131092330
1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one
CID 131010218
1-bromo-1-(2,4-diiodophenyl)propan-2-one
CID 130766612

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one?
The IUPAC name of 1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one (CID 131034107) is 1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one?
The canonical SMILES for 1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one is CC(=O)C(Cl)c1ccc(I)cc1C.
What is the InChIKey of 1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one?
The InChIKey is MKFBQYJRHGISRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIO/c1-6-5-8(12)3-4-9(6)10(11)7(2)13/h3-5,10H,1-2H3.
What are the key properties of 1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one?
1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one has a molecular weight of 308.55 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one is sourced from PubChem (CID 131034107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).