1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone

C14H7Cl5O2 — CID 2302578

IUPAC1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
SMILESO=C(COc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7Cl5O2/c15-7-1-2-9(10(17)3-7)13(20)6-21-14-11(18)4-8(16)5-12(14)19/h1-5H,6H2
InChIKeyUKRGVWDVVCWISD-UHFFFAOYSA-N
MW384.47 g/mol
LogP6.22
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone

1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone (PubChem CID 2302578) has the molecular formula C14H7Cl5O2 and a molecular weight of 384.47 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
PubChem CID2302578
Molecular FormulaC14H7Cl5O2
Molecular Weight384.47 g/mol
Exact Mass381.89
IUPAC Name1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
SMILESO=C(COc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7Cl5O2/c15-7-1-2-9(10(17)3-7)13(20)6-21-14-11(18)4-8(16)5-12(14)19/h1-5H,6H2
InChIKeyUKRGVWDVVCWISD-UHFFFAOYSA-N
XLogP6.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.47
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-dichlorophenyl)-2-oxoethyl] acetate
CID 59753951
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 60625746
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107659402
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107100385
2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile
CID 60624229
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856
2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 83140733
2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 166094938
1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone
CID 43798625

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone (CID 2302578) is 1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone is O=C(COc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone?
The InChIKey is UKRGVWDVVCWISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl5O2/c15-7-1-2-9(10(17)3-7)13(20)6-21-14-11(18)4-8(16)5-12(14)19/h1-5H,6H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone?
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone has a molecular weight of 384.47 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone is sourced from PubChem (CID 2302578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).