2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone

C19H28O2 — CID 116751194

IUPAC2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone
SMILESCCCc1cccc(C(=O)C(OCC)C2CCCCC2)c1
InChIInChI=1S/C19H28O2/c1-3-9-15-10-8-13-17(14-15)18(20)19(21-4-2)16-11-6-5-7-12-16/h8,10,13-14,16,19H,3-7,9,11-12H2,1-2H3
InChIKeyIQWHEPJWUGSDSZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.81
Rot. Bonds7

About 2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone

2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone (PubChem CID 116751194) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone
PubChem CID116751194
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone
SMILESCCCc1cccc(C(=O)C(OCC)C2CCCCC2)c1
InChIInChI=1S/C19H28O2/c1-3-9-15-10-8-13-17(14-15)18(20)19(21-4-2)16-11-6-5-7-12-16/h8,10,13-14,16,19H,3-7,9,11-12H2,1-2H3
InChIKeyIQWHEPJWUGSDSZ-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone
CID 116751155
3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one
CID 116608801
2-hydroxy-1-(3-propylphenyl)pentan-1-one
CID 103453885
6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone
CID 115812266
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone
CID 116751154
1-cycloheptyl-1-ethoxypentan-2-one
CID 83226001
1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
CID 116751239
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one
CID 107308047
1-cyclohexyl-1-ethoxy-3-(2-methylphenyl)propan-2-one
CID 116751204
2-amino-1-(3-propylphenyl)pent-4-yn-1-one
CID 116606647
methyl 3-propylbenzoate
CID 12861009

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone?
The IUPAC name of 2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone (CID 116751194) is 2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone.
What is the SMILES notation for 2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone?
The canonical SMILES for 2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone is CCCc1cccc(C(=O)C(OCC)C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone?
The InChIKey is IQWHEPJWUGSDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-3-9-15-10-8-13-17(14-15)18(20)19(21-4-2)16-11-6-5-7-12-16/h8,10,13-14,16,19H,3-7,9,11-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone?
2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone has a molecular weight of 288.43 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone is sourced from PubChem (CID 116751194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).