1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one

C15H12ClIO — CID 174383216

IUPAC1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one
SMILESCCC(=O)c1ccc(I)cc1-c1ccccc1Cl
InChIInChI=1S/C15H12ClIO/c1-2-15(18)12-8-7-10(17)9-13(12)11-5-3-4-6-14(11)16/h3-9H,2H2,1H3
InChIKeyJJQWSSLCELRKCN-UHFFFAOYSA-N
MW370.62 g/mol
LogP5.20
Rot. Bonds3

About 1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one

1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one (PubChem CID 174383216) has the molecular formula C15H12ClIO and a molecular weight of 370.62 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one
PubChem CID174383216
Molecular FormulaC15H12ClIO
Molecular Weight370.62 g/mol
Exact Mass369.96
IUPAC Name1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one
SMILESCCC(=O)c1ccc(I)cc1-c1ccccc1Cl
InChIInChI=1S/C15H12ClIO/c1-2-15(18)12-8-7-10(17)9-13(12)11-5-3-4-6-14(11)16/h3-9H,2H2,1H3
InChIKeyJJQWSSLCELRKCN-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one
CID 118813125
1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one
CID 118849922
2-(2-propanoylphenyl)benzoic acid
CID 15194783
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
1-(2,4-diphenylphenyl)propan-1-one
CID 151246876
1-[4-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]propan-1-one
CID 134615598
1-[5-(2-chloro-4-iodophenyl)thiophen-2-yl]propan-1-one
CID 107607464
1-[2-(4-methylphenyl)phenyl]propan-1-one
CID 67873243
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
1-(4-chloro-3-phenylphenyl)propan-1-one
CID 71113096
1-(2-chloro-5-iodophenyl)butane-1,3-dione
CID 20663973

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one?
The IUPAC name of 1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one (CID 174383216) is 1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one is CCC(=O)c1ccc(I)cc1-c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one?
The InChIKey is JJQWSSLCELRKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIO/c1-2-15(18)12-8-7-10(17)9-13(12)11-5-3-4-6-14(11)16/h3-9H,2H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one?
1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one has a molecular weight of 370.62 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one is sourced from PubChem (CID 174383216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).