2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone

C16H14Cl2O3 — CID 107311518

IUPAC2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2cccc(Cl)c2Cl)c1OC
InChIInChI=1S/C16H14Cl2O3/c1-20-14-8-4-6-11(16(14)21-2)13(19)9-10-5-3-7-12(17)15(10)18/h3-8H,9H2,1-2H3
InChIKeyNHBXVONGARNJBL-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.44
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone

2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone (PubChem CID 107311518) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
PubChem CID107311518
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2cccc(Cl)c2Cl)c1OC
InChIInChI=1S/C16H14Cl2O3/c1-20-14-8-4-6-11(16(14)21-2)13(19)9-10-5-3-7-12(17)15(10)18/h3-8H,9H2,1-2H3
InChIKeyNHBXVONGARNJBL-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
CID 61079926
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968572
1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 105089222
2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105412160
1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone
CID 81453841
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105089542
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2,3-dimethoxybenzoate
CID 42963207
1-(2,3-dimethoxyphenyl)-4-methoxybutan-1-one
CID 105135502
3-(3-chloro-2-methoxyphenyl)-3-oxopropanoic acid
CID 19869661

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone (CID 107311518) is 2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone is COc1cccc(C(=O)Cc2cccc(Cl)c2Cl)c1OC.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone?
The InChIKey is NHBXVONGARNJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-20-14-8-4-6-11(16(14)21-2)13(19)9-10-5-3-7-12(17)15(10)18/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone?
2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone has a molecular weight of 325.19 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone is sourced from PubChem (CID 107311518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).