2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone

C16H22O2 — CID 65402780

IUPAC2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1CCC(C)C1
InChIInChI=1S/C16H22O2/c1-11-4-6-13(8-11)15(17)10-14-9-12(2)5-7-16(14)18-3/h5,7,9,11,13H,4,6,8,10H2,1-3H3
InChIKeyFCXIVZQWNRIKGC-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.55
Rot. Bonds4

About 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone

2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone (PubChem CID 65402780) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
PubChem CID65402780
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1CCC(C)C1
InChIInChI=1S/C16H22O2/c1-11-4-6-13(8-11)15(17)10-14-9-12(2)5-7-16(14)18-3/h5,7,9,11,13H,4,6,8,10H2,1-3H3
InChIKeyFCXIVZQWNRIKGC-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114965714
2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572657
2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402969
2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone
CID 116560715
2-(2-methoxy-5-methylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanone
CID 115385766
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 79403824
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65413547
N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
CID 9327312

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone (CID 65402780) is 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone is COc1ccc(C)cc1CC(=O)C1CCC(C)C1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone?
The InChIKey is FCXIVZQWNRIKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-4-6-13(8-11)15(17)10-14-9-12(2)5-7-16(14)18-3/h5,7,9,11,13H,4,6,8,10H2,1-3H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone?
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone is sourced from PubChem (CID 65402780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).