1-(2-ethylcyclohexyl)-2-phenylpropan-1-one

C17H24O — CID 114029031

IUPAC1-(2-ethylcyclohexyl)-2-phenylpropan-1-one
SMILESCCC1CCCCC1C(=O)C(C)c1ccccc1
InChIInChI=1S/C17H24O/c1-3-14-9-7-8-12-16(14)17(18)13(2)15-10-5-4-6-11-15/h4-6,10-11,13-14,16H,3,7-9,12H2,1-2H3
InChIKeyIWFRUKHYJPDESP-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.58
Rot. Bonds4

About 1-(2-ethylcyclohexyl)-2-phenylpropan-1-one

1-(2-ethylcyclohexyl)-2-phenylpropan-1-one (PubChem CID 114029031) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2-phenylpropan-1-one
PubChem CID114029031
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-(2-ethylcyclohexyl)-2-phenylpropan-1-one
SMILESCCC1CCCCC1C(=O)C(C)c1ccccc1
InChIInChI=1S/C17H24O/c1-3-14-9-7-8-12-16(14)17(18)13(2)15-10-5-4-6-11-15/h4-6,10-11,13-14,16H,3,7-9,12H2,1-2H3
InChIKeyIWFRUKHYJPDESP-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2-phenylpropan-1-one?
The IUPAC name of 1-(2-ethylcyclohexyl)-2-phenylpropan-1-one (CID 114029031) is 1-(2-ethylcyclohexyl)-2-phenylpropan-1-one.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2-phenylpropan-1-one?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2-phenylpropan-1-one is CCC1CCCCC1C(=O)C(C)c1ccccc1.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2-phenylpropan-1-one?
The InChIKey is IWFRUKHYJPDESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-3-14-9-7-8-12-16(14)17(18)13(2)15-10-5-4-6-11-15/h4-6,10-11,13-14,16H,3,7-9,12H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-2-phenylpropan-1-one?
1-(2-ethylcyclohexyl)-2-phenylpropan-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2-phenylpropan-1-one is sourced from PubChem (CID 114029031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).