1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone

C17H16Cl2O2 — CID 43801034

IUPAC1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
SMILESCc1ccc(C)c(OCC(=O)c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C17H16Cl2O2/c1-10-4-5-11(2)17(12(10)3)21-9-16(20)13-6-7-14(18)15(19)8-13/h4-8H,9H2,1-3H3
InChIKeyRFOGOBLTRUVISM-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.18
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone

1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone (PubChem CID 43801034) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
PubChem CID43801034
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
SMILESCc1ccc(C)c(OCC(=O)c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C17H16Cl2O2/c1-10-4-5-11(2)17(12(10)3)21-9-16(20)13-6-7-14(18)15(19)8-13/h4-8H,9H2,1-3H3
InChIKeyRFOGOBLTRUVISM-UHFFFAOYSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43224754
1-(4-bromophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43425734
1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone
CID 43412378
[2-(3-chloro-4-methylphenyl)-2-oxoethyl] acetate
CID 146005834
1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone
CID 76999455
ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 2758176
2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
CID 11337309
N-(2-chlorophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 731196
1-(2-fluorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43801047
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188923
2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 83052620
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone
CID 7233520

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone (CID 43801034) is 1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone is Cc1ccc(C)c(OCC(=O)c2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone?
The InChIKey is RFOGOBLTRUVISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c1-10-4-5-11(2)17(12(10)3)21-9-16(20)13-6-7-14(18)15(19)8-13/h4-8H,9H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone?
1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone has a molecular weight of 323.22 g/mol, XLogP of 5.18, 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-(2,3,6-trimethylphenoxy)ethanone is sourced from PubChem (CID 43801034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).