(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone

C15H11BrF2O3 — CID 43339860

IUPAC(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccccc2OC(F)F)cc1Br
InChIInChI=1S/C15H11BrF2O3/c1-20-13-7-6-9(8-11(13)16)14(19)10-4-2-3-5-12(10)21-15(17)18/h2-8,15H,1H3
InChIKeyVTYGOVBQFIZERA-UHFFFAOYSA-N
MW357.15 g/mol
LogP4.29
Rot. Bonds5

About (3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone

(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone (PubChem CID 43339860) has the molecular formula C15H11BrF2O3 and a molecular weight of 357.15 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone
PubChem CID43339860
Molecular FormulaC15H11BrF2O3
Molecular Weight357.15 g/mol
Exact Mass355.99
IUPAC Name(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccccc2OC(F)F)cc1Br
InChIInChI=1S/C15H11BrF2O3/c1-20-13-7-6-9(8-11(13)16)14(19)10-4-2-3-5-12(10)21-15(17)18/h2-8,15H,1H3
InChIKeyVTYGOVBQFIZERA-UHFFFAOYSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 43339634
[2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 79736940
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
[2-(difluoromethoxy)phenyl]-(3-fluoro-5-methylphenyl)methanone
CID 115787652
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 61033565
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone
CID 114976117
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(3-bromo-4-methoxyphenyl)-isoquinolin-5-ylmethanone
CID 114971003

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone (CID 43339860) is (3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone is COc1ccc(C(=O)c2ccccc2OC(F)F)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone?
The InChIKey is VTYGOVBQFIZERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O3/c1-20-13-7-6-9(8-11(13)16)14(19)10-4-2-3-5-12(10)21-15(17)18/h2-8,15H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone?
(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone has a molecular weight of 357.15 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 43339860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).