2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone

C16H14BrClO3 — CID 60955784

IUPAC2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccccc2Br)cc(Cl)c1OC
InChIInChI=1S/C16H14BrClO3/c1-20-15-9-11(7-13(18)16(15)21-2)14(19)8-10-5-3-4-6-12(10)17/h3-7,9H,8H2,1-2H3
InChIKeyFSUADMIXVGLNDI-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.55
Rot. Bonds5

About 2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone

2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone (PubChem CID 60955784) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone
PubChem CID60955784
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Name2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccccc2Br)cc(Cl)c1OC
InChIInChI=1S/C16H14BrClO3/c1-20-15-9-11(7-13(18)16(15)21-2)14(19)8-10-5-3-4-6-12(10)17/h3-7,9H,8H2,1-2H3
InChIKeyFSUADMIXVGLNDI-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone
CID 62620241
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate
CID 26100957
2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113098835
(E)-N-[(2-bromophenyl)methyl]-3-(3-chloro-4,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 34866601
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
1-(3-chloro-4,5-dimethoxyphenyl)-2-propoxyethanone
CID 79567841
2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid
CID 104665659
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
1-(3-bromo-5-chloro-4-methoxyphenyl)-2-chloroethanone
CID 171002004
(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone
CID 62502800
(3-chloro-4,5-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 8641664

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone (CID 60955784) is 2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone is COc1cc(C(=O)Cc2ccccc2Br)cc(Cl)c1OC.
What is the InChIKey of 2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone?
The InChIKey is FSUADMIXVGLNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c1-20-15-9-11(7-13(18)16(15)21-2)14(19)8-10-5-3-4-6-12(10)17/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone?
2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone has a molecular weight of 369.64 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 60955784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).