(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone

C15H11BrF2O2 — CID 114971145

IUPAC(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H11BrF2O2/c1-2-20-13-6-4-3-5-10(13)15(19)14-11(17)7-9(16)8-12(14)18/h3-8H,2H2,1H3
InChIKeyOMOSKLPDIGKHFL-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.36
Rot. Bonds4

About (4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone

(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone (PubChem CID 114971145) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone
PubChem CID114971145
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H11BrF2O2/c1-2-20-13-6-4-3-5-10(13)15(19)14-11(17)7-9(16)8-12(14)18/h3-8H,2H2,1H3
InChIKeyOMOSKLPDIGKHFL-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
CID 174463979
2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 81315134
(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone
CID 81467462
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
(2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338564
4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide
CID 133423334
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanol
CID 115795618
2-ethoxybenzoic acid;zinc
CID 172723273
(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
CID 43337653
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone (CID 114971145) is (4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone?
The InChIKey is OMOSKLPDIGKHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c1-2-20-13-6-4-3-5-10(13)15(19)14-11(17)7-9(16)8-12(14)18/h3-8H,2H2,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone?
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone has a molecular weight of 341.15 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 114971145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).