2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone

C17H23ClO2 — CID 116749891

IUPAC2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccccc2Cl)CCCC(C)C1
InChIInChI=1S/C17H23ClO2/c1-3-20-17(10-6-7-13(2)12-17)16(19)11-14-8-4-5-9-15(14)18/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3
InChIKeyFDGSYPKERSYTGN-UHFFFAOYSA-N
MW294.82 g/mol
LogP4.44
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone

2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone (PubChem CID 116749891) has the molecular formula C17H23ClO2 and a molecular weight of 294.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
PubChem CID116749891
Molecular FormulaC17H23ClO2
Molecular Weight294.82 g/mol
Exact Mass294.14
IUPAC Name2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccccc2Cl)CCCC(C)C1
InChIInChI=1S/C17H23ClO2/c1-3-20-17(10-6-7-13(2)12-17)16(19)11-14-8-4-5-9-15(14)18/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3
InChIKeyFDGSYPKERSYTGN-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone (CID 116749891) is 2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone is CCOC1(C(=O)Cc2ccccc2Cl)CCCC(C)C1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
The InChIKey is FDGSYPKERSYTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO2/c1-3-20-17(10-6-7-13(2)12-17)16(19)11-14-8-4-5-9-15(14)18/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone has a molecular weight of 294.82 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone is sourced from PubChem (CID 116749891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).