2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone

C17H22Cl2O2 — CID 116749468

IUPAC2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(Cl)cc2Cl)CCC(C)CC1
InChIInChI=1S/C17H22Cl2O2/c1-3-21-17(8-6-12(2)7-9-17)16(20)10-13-4-5-14(18)11-15(13)19/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyWJXKMGOXJHOQQM-UHFFFAOYSA-N
MW329.27 g/mol
LogP5.09
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone

2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone (PubChem CID 116749468) has the molecular formula C17H22Cl2O2 and a molecular weight of 329.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
PubChem CID116749468
Molecular FormulaC17H22Cl2O2
Molecular Weight329.27 g/mol
Exact Mass328.10
IUPAC Name2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(Cl)cc2Cl)CCC(C)CC1
InChIInChI=1S/C17H22Cl2O2/c1-3-21-17(8-6-12(2)7-9-17)16(20)10-13-4-5-14(18)11-15(13)19/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyWJXKMGOXJHOQQM-UHFFFAOYSA-N
XLogP5.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.27
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 102857332
2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748475
2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749891
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116749463
1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116749303
(2,5-dichlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanone
CID 116749899
2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749384
2-(2,4-dichlorophenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27802772
2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749944
1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 70921617
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749459

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone (CID 116749468) is 2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone is CCOC1(C(=O)Cc2ccc(Cl)cc2Cl)CCC(C)CC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone?
The InChIKey is WJXKMGOXJHOQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2O2/c1-3-21-17(8-6-12(2)7-9-17)16(20)10-13-4-5-14(18)11-15(13)19/h4-5,11-12H,3,6-10H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone?
2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone has a molecular weight of 329.27 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone is sourced from PubChem (CID 116749468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).