(5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone

C15H11BrClIO — CID 114032826

IUPAC(5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(Br)ccc2I)c(C)cc1Cl
InChIInChI=1S/C15H11BrClIO/c1-8-6-13(17)9(2)5-11(8)15(19)12-7-10(16)3-4-14(12)18/h3-7H,1-2H3
InChIKeyUPLABOBBWSIDGE-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.55
Rot. Bonds2

About (5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone

(5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone (PubChem CID 114032826) has the molecular formula C15H11BrClIO and a molecular weight of 449.51 g/mol. Its IUPAC name is (5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
PubChem CID114032826
Molecular FormulaC15H11BrClIO
Molecular Weight449.51 g/mol
Exact Mass447.87
IUPAC Name(5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(Br)ccc2I)c(C)cc1Cl
InChIInChI=1S/C15H11BrClIO/c1-8-6-13(17)9(2)5-11(8)15(19)12-7-10(16)3-4-14(12)18/h3-7H,1-2H3
InChIKeyUPLABOBBWSIDGE-UHFFFAOYSA-N
XLogP5.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.55
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-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone
CID 114032403
(5-bromo-2-iodophenyl)-(2,4-dichlorophenyl)methanone
CID 114032798
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 113396681
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43378825

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
The IUPAC name of (5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone (CID 114032826) is (5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
The canonical SMILES for (5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone is Cc1cc(C(=O)c2cc(Br)ccc2I)c(C)cc1Cl.
What is the InChIKey of (5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
The InChIKey is UPLABOBBWSIDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClIO/c1-8-6-13(17)9(2)5-11(8)15(19)12-7-10(16)3-4-14(12)18/h3-7H,1-2H3.
What are the key properties of (5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
(5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone has a molecular weight of 449.51 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 114032826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).