1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone

C16H14Cl2O2 — CID 43412378

IUPAC1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone
SMILESCc1cc(C)cc(OCC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H14Cl2O2/c1-10-5-11(2)7-13(6-10)20-9-16(19)12-3-4-14(17)15(18)8-12/h3-8H,9H2,1-2H3
InChIKeyGYISXQLPKQRYPT-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.87
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone

1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone (PubChem CID 43412378) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone
PubChem CID43412378
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone
SMILESCc1cc(C)cc(OCC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H14Cl2O2/c1-10-5-11(2)7-13(6-10)20-9-16(19)12-3-4-14(17)15(18)8-12/h3-8H,9H2,1-2H3
InChIKeyGYISXQLPKQRYPT-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43801034
[2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 23762287
ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 2758176
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
CID 11337309
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone
CID 76999455
2-(4-chloro-3-ethylphenoxy)-1-(3-methylphenyl)ethanone
CID 63567266
2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
CID 2801382
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
(3R)-5-[2-(3,4-dichlorophenoxy)acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9196934
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone (CID 43412378) is 1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone is Cc1cc(C)cc(OCC(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone?
The InChIKey is GYISXQLPKQRYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-10-5-11(2)7-13(6-10)20-9-16(19)12-3-4-14(17)15(18)8-12/h3-8H,9H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone?
1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone has a molecular weight of 309.19 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone is sourced from PubChem (CID 43412378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).