1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone

C16H14Cl2O3 — CID 78906437

IUPAC1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2O3/c1-10(19)14-6-5-13(20-2)8-16(14)21-9-11-3-4-12(17)7-15(11)18/h3-8H,9H2,1-2H3
InChIKeyXWSJQVCDRCNDGL-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.78
Rot. Bonds5

About 1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone

1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone (PubChem CID 78906437) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
PubChem CID78906437
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2O3/c1-10(19)14-6-5-13(20-2)8-16(14)21-9-11-3-4-12(17)7-15(11)18/h3-8H,9H2,1-2H3
InChIKeyXWSJQVCDRCNDGL-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002286
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78978251
2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 141052915
[2-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60878519
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875975
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone
CID 102947956
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate
CID 7705071
1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone
CID 66554673
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone (CID 78906437) is 1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)c(OCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone?
The InChIKey is XWSJQVCDRCNDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-10(19)14-6-5-13(20-2)8-16(14)21-9-11-3-4-12(17)7-15(11)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone?
1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone has a molecular weight of 325.19 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 78906437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).