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

C15H11BrCl2O2 — CID 81491659

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C15H11BrCl2O2/c1-20-15-5-2-9(6-11(15)16)7-14(19)10-3-4-12(17)13(18)8-10/h2-6,8H,7H2,1H3
InChIKeyHBDYJSDZMPOVJL-UHFFFAOYSA-N
MW374.06 g/mol
LogP5.19
Rot. Bonds4

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

2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone (PubChem CID 81491659) has the molecular formula C15H11BrCl2O2 and a molecular weight of 374.06 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
PubChem CID81491659
Molecular FormulaC15H11BrCl2O2
Molecular Weight374.06 g/mol
Exact Mass371.93
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C15H11BrCl2O2/c1-20-15-5-2-9(6-11(15)16)7-14(19)10-3-4-12(17)13(18)8-10/h2-6,8H,7H2,1H3
InChIKeyHBDYJSDZMPOVJL-UHFFFAOYSA-N
XLogP5.19
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 ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116582135
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656
2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone
CID 54971414
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43161702
2-(3-bromo-4-methoxyphenyl)-1-(4-iodophenyl)ethanone
CID 114964703
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 106950901
2-(3-bromo-4-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105083774
2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 79700353
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone (CID 81491659) is 2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone is COc1ccc(CC(=O)c2ccc(Cl)c(Cl)c2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is HBDYJSDZMPOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2O2/c1-20-15-5-2-9(6-11(15)16)7-14(19)10-3-4-12(17)13(18)8-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone?
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 374.06 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 81491659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).