1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone

C16H22O2 — CID 104751801

IUPAC1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)C1CCCC1
InChIInChI=1S/C16H22O2/c1-12(2)14-9-5-6-10-16(14)18-11-15(17)13-7-3-4-8-13/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3
InChIKeyJWEPJJVVDWUOHH-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.95
Rot. Bonds5

About 1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone

1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone (PubChem CID 104751801) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
PubChem CID104751801
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)C1CCCC1
InChIInChI=1S/C16H22O2/c1-12(2)14-9-5-6-10-16(14)18-11-15(17)13-7-3-4-8-13/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3
InChIKeyJWEPJJVVDWUOHH-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
CID 104752083
N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188194
1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 113449018
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 82224167
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903929
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 113223270
1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 39376391
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone (CID 104751801) is 1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone is CC(C)c1ccccc1OCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone?
The InChIKey is JWEPJJVVDWUOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12(2)14-9-5-6-10-16(14)18-11-15(17)13-7-3-4-8-13/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone?
1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone has a molecular weight of 246.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 104751801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).