(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone

C14H9BrClIO2 — CID 43805097

IUPAC(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H9BrClIO2/c1-19-13-5-3-9(17)7-11(13)14(18)10-4-2-8(15)6-12(10)16/h2-7H,1H3
InChIKeyGNYSRFSGWRFWEZ-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.95
Rot. Bonds3

About (4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone

(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone (PubChem CID 43805097) has the molecular formula C14H9BrClIO2 and a molecular weight of 451.49 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
PubChem CID43805097
Molecular FormulaC14H9BrClIO2
Molecular Weight451.49 g/mol
Exact Mass449.85
IUPAC Name(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H9BrClIO2/c1-19-13-5-3-9(17)7-11(13)14(18)10-4-2-8(15)6-12(10)16/h2-7H,1H3
InChIKeyGNYSRFSGWRFWEZ-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.95
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)-(5-iodo-2-methoxyphenyl)methanone
CID 65306724
methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate
CID 67314174
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
CID 78987641
(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 114019718
(3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 112580769

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone (CID 43805097) is (4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone is COc1ccc(I)cc1C(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone?
The InChIKey is GNYSRFSGWRFWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClIO2/c1-19-13-5-3-9(17)7-11(13)14(18)10-4-2-8(15)6-12(10)16/h2-7H,1H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone?
(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone has a molecular weight of 451.49 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone is sourced from PubChem (CID 43805097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).