3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one

C15H9Cl2IO — CID 3472097

IUPAC3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1cccc(Cl)c1Cl)c1ccc(I)cc1
InChIInChI=1S/C15H9Cl2IO/c16-13-3-1-2-11(15(13)17)6-9-14(19)10-4-7-12(18)8-5-10/h1-9H
InChIKeyGPNOMGJNPGHDPI-UHFFFAOYSA-N
MW403.05 g/mol
LogP5.49
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one

3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one (PubChem CID 3472097) has the molecular formula C15H9Cl2IO and a molecular weight of 403.05 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one
PubChem CID3472097
Molecular FormulaC15H9Cl2IO
Molecular Weight403.05 g/mol
Exact Mass401.91
IUPAC Name3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1cccc(Cl)c1Cl)c1ccc(I)cc1
InChIInChI=1S/C15H9Cl2IO/c16-13-3-1-2-11(15(13)17)6-9-14(19)10-4-7-12(18)8-5-10/h1-9H
InChIKeyGPNOMGJNPGHDPI-UHFFFAOYSA-N
XLogP5.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.05
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2,3-dichlorophenyl)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 7947478
(E)-3-(2,3-dichlorophenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one
CID 6173229
(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 6045199
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
(E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 2063719
3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5175101
3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 4851047
(E)-3-(2,3-dichlorophenyl)-1-(1-propan-2-ylpyrazol-4-yl)prop-2-en-1-one
CID 60602904
N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 9340429
1,7-bis(2,3-dichlorophenyl)hepta-1,6-dien-4-one
CID 141017477
(E)-3-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 11842511
2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone
CID 107311673

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one (CID 3472097) is 3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one is O=C(C=Cc1cccc(Cl)c1Cl)c1ccc(I)cc1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one?
The InChIKey is GPNOMGJNPGHDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2IO/c16-13-3-1-2-11(15(13)17)6-9-14(19)10-4-7-12(18)8-5-10/h1-9H.
What are the key properties of 3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one?
3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one has a molecular weight of 403.05 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one is sourced from PubChem (CID 3472097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).