(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone

C15H11Br2FO3 — CID 43338945

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2cc(Br)ccc2F)cc1OC
InChIInChI=1S/C15H11Br2FO3/c1-20-13-6-9(11(17)7-14(13)21-2)15(19)10-5-8(16)3-4-12(10)18/h3-7H,1-2H3
InChIKeyCYXSBNXNYKZZSJ-UHFFFAOYSA-N
MW418.06 g/mol
LogP4.60
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone

(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone (PubChem CID 43338945) has the molecular formula C15H11Br2FO3 and a molecular weight of 418.06 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
PubChem CID43338945
Molecular FormulaC15H11Br2FO3
Molecular Weight418.06 g/mol
Exact Mass415.91
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2cc(Br)ccc2F)cc1OC
InChIInChI=1S/C15H11Br2FO3/c1-20-13-6-9(11(17)7-14(13)21-2)15(19)10-5-8(16)3-4-12(10)18/h3-7H,1-2H3
InChIKeyCYXSBNXNYKZZSJ-UHFFFAOYSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.06
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411
(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 114894253
(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790410
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62865668
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62866561
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
(4-bromo-2-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60786111

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone (CID 43338945) is (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone is COc1cc(Br)c(C(=O)c2cc(Br)ccc2F)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone?
The InChIKey is CYXSBNXNYKZZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO3/c1-20-13-6-9(11(17)7-14(13)21-2)15(19)10-5-8(16)3-4-12(10)18/h3-7H,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone?
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone has a molecular weight of 418.06 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 43338945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).