1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one

C17H22Cl2O2 — CID 107308047

IUPAC1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one
SMILESCCOC(C(=O)Cc1cccc(Cl)c1Cl)C1CCCCC1
InChIInChI=1S/C17H22Cl2O2/c1-2-21-17(12-7-4-3-5-8-12)15(20)11-13-9-6-10-14(18)16(13)19/h6,9-10,12,17H,2-5,7-8,11H2,1H3
InChIKeyJNLKECSJHGCSRU-UHFFFAOYSA-N
MW329.27 g/mol
LogP5.09
Rot. Bonds6

About 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one

1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one (PubChem CID 107308047) has the molecular formula C17H22Cl2O2 and a molecular weight of 329.27 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one
PubChem CID107308047
Molecular FormulaC17H22Cl2O2
Molecular Weight329.27 g/mol
Exact Mass328.10
IUPAC Name1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one
SMILESCCOC(C(=O)Cc1cccc(Cl)c1Cl)C1CCCCC1
InChIInChI=1S/C17H22Cl2O2/c1-2-21-17(12-7-4-3-5-8-12)15(20)11-13-9-6-10-14(18)16(13)19/h6,9-10,12,17H,2-5,7-8,11H2,1H3
InChIKeyJNLKECSJHGCSRU-UHFFFAOYSA-N
XLogP5.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

1-cyclohexyl-1-ethoxy-3-(2-methylphenyl)propan-2-one
CID 116751204
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 116751294
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-one
CID 107308023
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one
CID 116709296
1,2-dicyclohexyl-2-ethoxyethanone
CID 70193866
1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 63476982
1-(2,3-dichlorophenyl)-3-methoxypentan-2-one
CID 107308022
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone
CID 116751154
1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one
CID 116751307
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one
CID 116751104
2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone
CID 116751194
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one?
The IUPAC name of 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one (CID 107308047) is 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one is CCOC(C(=O)Cc1cccc(Cl)c1Cl)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one?
The InChIKey is JNLKECSJHGCSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2O2/c1-2-21-17(12-7-4-3-5-8-12)15(20)11-13-9-6-10-14(18)16(13)19/h6,9-10,12,17H,2-5,7-8,11H2,1H3.
What are the key properties of 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one?
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one has a molecular weight of 329.27 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one is sourced from PubChem (CID 107308047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).