2-(3-ethylcyclohexyl)-1-phenylethanone

C16H22O — CID 79428507

IUPAC2-(3-ethylcyclohexyl)-1-phenylethanone
SMILESCCC1CCCC(CC(=O)c2ccccc2)C1
InChIInChI=1S/C16H22O/c1-2-13-7-6-8-14(11-13)12-16(17)15-9-4-3-5-10-15/h3-5,9-10,13-14H,2,6-8,11-12H2,1H3
InChIKeyZBLOHCCGOJKFDX-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.48
Rot. Bonds4

About 2-(3-ethylcyclohexyl)-1-phenylethanone

2-(3-ethylcyclohexyl)-1-phenylethanone (PubChem CID 79428507) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-1-phenylethanone
PubChem CID79428507
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2-(3-ethylcyclohexyl)-1-phenylethanone
SMILESCCC1CCCC(CC(=O)c2ccccc2)C1
InChIInChI=1S/C16H22O/c1-2-13-7-6-8-14(11-13)12-16(17)15-9-4-3-5-10-15/h3-5,9-10,13-14H,2,6-8,11-12H2,1H3
InChIKeyZBLOHCCGOJKFDX-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-1-phenylethanone?
The IUPAC name of 2-(3-ethylcyclohexyl)-1-phenylethanone (CID 79428507) is 2-(3-ethylcyclohexyl)-1-phenylethanone.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-1-phenylethanone?
The canonical SMILES for 2-(3-ethylcyclohexyl)-1-phenylethanone is CCC1CCCC(CC(=O)c2ccccc2)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-1-phenylethanone?
The InChIKey is ZBLOHCCGOJKFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-2-13-7-6-8-14(11-13)12-16(17)15-9-4-3-5-10-15/h3-5,9-10,13-14H,2,6-8,11-12H2,1H3.
What are the key properties of 2-(3-ethylcyclohexyl)-1-phenylethanone?
2-(3-ethylcyclohexyl)-1-phenylethanone has a molecular weight of 230.35 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-1-phenylethanone is sourced from PubChem (CID 79428507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).