2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone

C15H11BrCl2O2 — CID 83140733

IUPAC2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
SMILESCc1cc(OCC(=O)c2ccc(Cl)cc2Cl)ccc1Br
InChIInChI=1S/C15H11BrCl2O2/c1-9-6-11(3-5-13(9)16)20-8-15(19)12-4-2-10(17)7-14(12)18/h2-7H,8H2,1H3
InChIKeyFBIPFALFYZBALN-UHFFFAOYSA-N
MW374.06 g/mol
LogP5.33
Rot. Bonds4

About 2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone

2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone (PubChem CID 83140733) has the molecular formula C15H11BrCl2O2 and a molecular weight of 374.06 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
PubChem CID83140733
Molecular FormulaC15H11BrCl2O2
Molecular Weight374.06 g/mol
Exact Mass371.93
IUPAC Name2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
SMILESCc1cc(OCC(=O)c2ccc(Cl)cc2Cl)ccc1Br
InChIInChI=1S/C15H11BrCl2O2/c1-9-6-11(3-5-13(9)16)20-8-15(19)12-4-2-10(17)7-14(12)18/h2-7H,8H2,1H3
InChIKeyFBIPFALFYZBALN-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.06
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone 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-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone
CID 83140397
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 60625746
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107659402
2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone
CID 83140068
(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 2268092
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile
CID 60624229
2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 166094938
1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone (CID 83140733) is 2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone is Cc1cc(OCC(=O)c2ccc(Cl)cc2Cl)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is FBIPFALFYZBALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2O2/c1-9-6-11(3-5-13(9)16)20-8-15(19)12-4-2-10(17)7-14(12)18/h2-7H,8H2,1H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone?
2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 374.06 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 83140733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).