2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone

C15H11BrCl2O2 — CID 114964656

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Cl)ccc2Cl)cc1Br
InChIInChI=1S/C15H11BrCl2O2/c1-20-15-5-2-9(6-12(15)16)7-14(19)11-8-10(17)3-4-13(11)18/h2-6,8H,7H2,1H3
InChIKeyURPFKAVLBGVPBK-UHFFFAOYSA-N
MW374.06 g/mol
LogP5.19
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone

2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone (PubChem CID 114964656) has the molecular formula C15H11BrCl2O2 and a molecular weight of 374.06 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
PubChem CID114964656
Molecular FormulaC15H11BrCl2O2
Molecular Weight374.06 g/mol
Exact Mass371.93
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Cl)ccc2Cl)cc1Br
InChIInChI=1S/C15H11BrCl2O2/c1-20-15-5-2-9(6-12(15)16)7-14(19)11-8-10(17)3-4-13(11)18/h2-6,8H,7H2,1H3
InChIKeyURPFKAVLBGVPBK-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

2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 64713786
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107538191
1-(2-amino-3-methoxyphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107469003
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993
2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273091
1-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974430
(2-bromo-4-chlorophenyl) 2-(3,4-dimethoxyphenyl)acetate
CID 26213000
1-(3-amino-2-methylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116604463
2-[(3-bromo-4-methoxyphenyl)methoxy]-4-chlorobenzoic acid
CID 45286799

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone (CID 114964656) is 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone is COc1ccc(CC(=O)c2cc(Cl)ccc2Cl)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone?
The InChIKey is URPFKAVLBGVPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2O2/c1-20-15-5-2-9(6-12(15)16)7-14(19)11-8-10(17)3-4-13(11)18/h2-6,8H,7H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone?
2-(3-bromo-4-methoxyphenyl)-1-(2,5-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-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 114964656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).