(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone

C15H11BrF2O3 — CID 105056470

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
SMILESCOc1cc(C(=O)c2cc(F)cc(F)c2)c(OC)cc1Br
InChIInChI=1S/C15H11BrF2O3/c1-20-13-7-12(16)14(21-2)6-11(13)15(19)8-3-9(17)5-10(18)4-8/h3-7H,1-2H3
InChIKeyXQGMHTNVFSUXJZ-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.98
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone

(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone (PubChem CID 105056470) has the molecular formula C15H11BrF2O3 and a molecular weight of 357.15 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
PubChem CID105056470
Molecular FormulaC15H11BrF2O3
Molecular Weight357.15 g/mol
Exact Mass355.99
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
SMILESCOc1cc(C(=O)c2cc(F)cc(F)c2)c(OC)cc1Br
InChIInChI=1S/C15H11BrF2O3/c1-20-13-7-12(16)14(21-2)6-11(13)15(19)8-3-9(17)5-10(18)4-8/h3-7H,1-2H3
InChIKeyXQGMHTNVFSUXJZ-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411
(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
CID 105056345
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 105056401
(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
CID 105056463
1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone
CID 103513706
(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
CID 107469180
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
CID 105056365

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone (CID 105056470) is (4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone is COc1cc(C(=O)c2cc(F)cc(F)c2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone?
The InChIKey is XQGMHTNVFSUXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O3/c1-20-13-7-12(16)14(21-2)6-11(13)15(19)8-3-9(17)5-10(18)4-8/h3-7H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone?
(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone has a molecular weight of 357.15 g/mol, XLogP of 3.98, 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)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 105056470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).