1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one

C17H22Cl2O2 — CID 116751294

IUPAC1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
SMILESCCOC(C(=O)Cc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H22Cl2O2/c1-2-21-17(12-6-4-3-5-7-12)16(20)10-13-8-9-14(18)11-15(13)19/h8-9,11-12,17H,2-7,10H2,1H3
InChIKeyVMNRCTYWXSEXIA-UHFFFAOYSA-N
MW329.27 g/mol
LogP5.09
Rot. Bonds6

About 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one

1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one (PubChem CID 116751294) has the molecular formula C17H22Cl2O2 and a molecular weight of 329.27 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
PubChem CID116751294
Molecular FormulaC17H22Cl2O2
Molecular Weight329.27 g/mol
Exact Mass328.10
IUPAC Name1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
SMILESCCOC(C(=O)Cc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H22Cl2O2/c1-2-21-17(12-6-4-3-5-7-12)16(20)10-13-8-9-14(18)11-15(13)19/h8-9,11-12,17H,2-7,10H2,1H3
InChIKeyVMNRCTYWXSEXIA-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-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one
CID 107308047
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone
CID 116751154
1-cyclohexyl-1-ethoxy-3-(2-methylphenyl)propan-2-one
CID 116751204
N-cyclohexyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132618164
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one
CID 116709296
1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347374
(2R)-N-cyclohexyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100516508
3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457499
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide
CID 162368542
methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate
CID 134591238
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132614253

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one?
The IUPAC name of 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one (CID 116751294) is 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one is CCOC(C(=O)Cc1ccc(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one?
The InChIKey is VMNRCTYWXSEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2O2/c1-2-21-17(12-6-4-3-5-7-12)16(20)10-13-8-9-14(18)11-15(13)19/h8-9,11-12,17H,2-7,10H2,1H3.
What are the key properties of 1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one?
1-cyclohexyl-3-(2,4-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-(2,4-dichlorophenyl)-1-ethoxypropan-2-one is sourced from PubChem (CID 116751294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).