1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone

C16H14Cl2O3 — CID 2803618

IUPAC1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2O3/c1-10(19)11-3-5-15(20-2)12(7-11)9-21-16-6-4-13(17)8-14(16)18/h3-8H,9H2,1-2H3
InChIKeyVHGFKBILBUAVHQ-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.78
Rot. Bonds5

About 1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone

1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone (PubChem CID 2803618) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone
PubChem CID2803618
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2O3/c1-10(19)11-3-5-15(20-2)12(7-11)9-21-16-6-4-13(17)8-14(16)18/h3-8H,9H2,1-2H3
InChIKeyVHGFKBILBUAVHQ-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone (CID 2803618) is 1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone?
The InChIKey is VHGFKBILBUAVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-10(19)11-3-5-15(20-2)12(7-11)9-21-16-6-4-13(17)8-14(16)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone?
1-[3-[(2,4-dichlorophenoxy)methyl]-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-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 2803618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).