2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone

C16H14Cl2O3 — CID 63565665

IUPAC2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2O3/c1-10-3-5-12(15(7-10)20-2)14(19)9-21-16-8-11(17)4-6-13(16)18/h3-8H,9H2,1-2H3
InChIKeyPFRFFBZFWNKNOS-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.57
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone

2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone (PubChem CID 63565665) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
PubChem CID63565665
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2O3/c1-10-3-5-12(15(7-10)20-2)14(19)9-21-16-8-11(17)4-6-13(16)18/h3-8H,9H2,1-2H3
InChIKeyPFRFFBZFWNKNOS-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 62032361
2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 107285015
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
N'-[2-(2,5-dichlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 24563273
2-(2,5-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60623205
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625071
methyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
CID 70925530
1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413925
4-chloro-2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 114323741
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-chloro-5-methylphenoxy)ethanone
CID 110656212
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone (CID 63565665) is 2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone is COc1cc(C)ccc1C(=O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone?
The InChIKey is PFRFFBZFWNKNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-10-3-5-12(15(7-10)20-2)14(19)9-21-16-8-11(17)4-6-13(16)18/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone?
2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone has a molecular weight of 325.19 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 63565665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).