(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone

C14H10ClIO — CID 24723124

IUPAC(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(I)cc2)ccc1Cl
InChIInChI=1S/C14H10ClIO/c1-9-8-11(4-7-13(9)15)14(17)10-2-5-12(16)6-3-10/h2-8H,1H3
InChIKeyCBPMLCMDVODISY-UHFFFAOYSA-N
MW356.59 g/mol
LogP4.48
Rot. Bonds2

About (4-chloro-3-methylphenyl)-(4-iodophenyl)methanone

(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone (PubChem CID 24723124) has the molecular formula C14H10ClIO and a molecular weight of 356.59 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone
PubChem CID24723124
Molecular FormulaC14H10ClIO
Molecular Weight356.59 g/mol
Exact Mass355.95
IUPAC Name(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(I)cc2)ccc1Cl
InChIInChI=1S/C14H10ClIO/c1-9-8-11(4-7-13(9)15)14(17)10-2-5-12(16)6-3-10/h2-8H,1H3
InChIKeyCBPMLCMDVODISY-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 54.48
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

[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024
(3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone
CID 19043713
bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
(4-chloro-3-methylphenyl)-(4-isothiocyanatophenyl)methanone
CID 157149830
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 58252483
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
CID 91636318
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone
CID 91658550
1-(4-chloro-3-methylphenyl)-2-methylprop-2-en-1-one
CID 112698739

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(4-iodophenyl)methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-(4-iodophenyl)methanone (CID 24723124) is (4-chloro-3-methylphenyl)-(4-iodophenyl)methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(4-iodophenyl)methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-(4-iodophenyl)methanone is Cc1cc(C(=O)c2ccc(I)cc2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(4-iodophenyl)methanone?
The InChIKey is CBPMLCMDVODISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIO/c1-9-8-11(4-7-13(9)15)14(17)10-2-5-12(16)6-3-10/h2-8H,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-(4-iodophenyl)methanone?
(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone has a molecular weight of 356.59 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(4-iodophenyl)methanone is sourced from PubChem (CID 24723124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).