(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone

C14H9BrCl2O2 — CID 115368770

IUPAC(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9BrCl2O2/c1-19-13-6-8(15)2-4-10(13)14(18)11-7-9(16)3-5-12(11)17/h2-7H,1H3
InChIKeyLZJZVHDDEUZNNV-UHFFFAOYSA-N
MW360.03 g/mol
LogP5.00
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone

(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone (PubChem CID 115368770) has the molecular formula C14H9BrCl2O2 and a molecular weight of 360.03 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
PubChem CID115368770
Molecular FormulaC14H9BrCl2O2
Molecular Weight360.03 g/mol
Exact Mass357.92
IUPAC Name(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9BrCl2O2/c1-19-13-6-8(15)2-4-10(13)14(18)11-7-9(16)3-5-12(11)17/h2-7H,1H3
InChIKeyLZJZVHDDEUZNNV-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.03
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
(4-chloro-2-methoxyphenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348850
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone
CID 106764162
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790410
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone
CID 81045720
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone
CID 114032403

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone (CID 115368770) is (4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone is COc1cc(Br)ccc1C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone?
The InChIKey is LZJZVHDDEUZNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O2/c1-19-13-6-8(15)2-4-10(13)14(18)11-7-9(16)3-5-12(11)17/h2-7H,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone?
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone has a molecular weight of 360.03 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 115368770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).