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

C15H11Br2FO3 — CID 105056411

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
SMILESCOc1cc(C(=O)c2cc(Br)ccc2F)c(OC)cc1Br
InChIInChI=1S/C15H11Br2FO3/c1-20-13-7-11(17)14(21-2)6-10(13)15(19)9-5-8(16)3-4-12(9)18/h3-7H,1-2H3
InChIKeyOBKNPXYJLHAJGS-UHFFFAOYSA-N
MW418.06 g/mol
LogP4.60
Rot. Bonds4

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

(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone (PubChem CID 105056411) has the molecular formula C15H11Br2FO3 and a molecular weight of 418.06 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
PubChem CID105056411
Molecular FormulaC15H11Br2FO3
Molecular Weight418.06 g/mol
Exact Mass415.91
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
SMILESCOc1cc(C(=O)c2cc(Br)ccc2F)c(OC)cc1Br
InChIInChI=1S/C15H11Br2FO3/c1-20-13-7-11(17)14(21-2)6-10(13)15(19)9-5-8(16)3-4-12(9)18/h3-7H,1-2H3
InChIKeyOBKNPXYJLHAJGS-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

(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790410
(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 114894253
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 105056401
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
CID 105056470
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
5-bromo-2-(2,5-dibromo-4-methoxyphenoxy)benzoic acid
CID 114896173
(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
CID 105056365
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62866561

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone (CID 105056411) is (4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone is COc1cc(C(=O)c2cc(Br)ccc2F)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone?
The InChIKey is OBKNPXYJLHAJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO3/c1-20-13-7-11(17)14(21-2)6-10(13)15(19)9-5-8(16)3-4-12(9)18/h3-7H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone?
(4-bromo-2,5-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 (4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 105056411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).