1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one

C15H12ClIO — CID 65477672

IUPAC1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1ccc(I)cc1
InChIInChI=1S/C15H12ClIO/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h1-8H,9-10H2
InChIKeyPQWXWVMHMDYCDQ-UHFFFAOYSA-N
MW370.62 g/mol
LogP4.30
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one

1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one (PubChem CID 65477672) has the molecular formula C15H12ClIO and a molecular weight of 370.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
PubChem CID65477672
Molecular FormulaC15H12ClIO
Molecular Weight370.62 g/mol
Exact Mass369.96
IUPAC Name1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1ccc(I)cc1
InChIInChI=1S/C15H12ClIO/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h1-8H,9-10H2
InChIKeyPQWXWVMHMDYCDQ-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.62
LogP ≤ 54.30
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

1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
1-(4-chlorophenyl)-3-hydroxypropan-2-one
CID 12071752
1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65478707
1-(4-chlorophenyl)butan-2-one
CID 39237509
2-(4-chlorophenyl)acetyl iodide
CID 89264950
2-(4-iodophenyl)acetyl chloride
CID 13340573
1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65476457
2-(4-chlorophenyl)acetate
CID 5460378
1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642228
1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
CID 157438044
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one (CID 65477672) is 1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one is O=C(Cc1ccc(Cl)cc1)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one?
The InChIKey is PQWXWVMHMDYCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIO/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h1-8H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one?
1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one has a molecular weight of 370.62 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one is sourced from PubChem (CID 65477672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).