(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone

C15H12BrIO2 — CID 65306724

IUPAC(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1cc(Br)ccc1C
InChIInChI=1S/C15H12BrIO2/c1-9-3-4-10(16)7-12(9)15(18)13-8-11(17)5-6-14(13)19-2/h3-8H,1-2H3
InChIKeyLBCZYYGBAFAXGX-UHFFFAOYSA-N
MW431.07 g/mol
LogP4.60
Rot. Bonds3

About (5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone

(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone (PubChem CID 65306724) has the molecular formula C15H12BrIO2 and a molecular weight of 431.07 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone
PubChem CID65306724
Molecular FormulaC15H12BrIO2
Molecular Weight431.07 g/mol
Exact Mass429.91
IUPAC Name(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1cc(Br)ccc1C
InChIInChI=1S/C15H12BrIO2/c1-9-3-4-10(16)7-12(9)15(18)13-8-11(17)5-6-14(13)19-2/h3-8H,1-2H3
InChIKeyLBCZYYGBAFAXGX-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.07
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184
(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 43805097
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 114019718
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 65237438
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone (CID 65306724) is (5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone is COc1ccc(I)cc1C(=O)c1cc(Br)ccc1C.
What is the InChIKey of (5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone?
The InChIKey is LBCZYYGBAFAXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrIO2/c1-9-3-4-10(16)7-12(9)15(18)13-8-11(17)5-6-14(13)19-2/h3-8H,1-2H3.
What are the key properties of (5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone?
(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone has a molecular weight of 431.07 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone is sourced from PubChem (CID 65306724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).