2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone

C15H20O3 — CID 114965714

IUPAC2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1COC(C)C1
InChIInChI=1S/C15H20O3/c1-10-4-5-15(17-3)12(6-10)8-14(16)13-7-11(2)18-9-13/h4-6,11,13H,7-9H2,1-3H3
InChIKeyIMOKFMZCXJRQEH-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.54
Rot. Bonds4

About 2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone

2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone (PubChem CID 114965714) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone
PubChem CID114965714
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1COC(C)C1
InChIInChI=1S/C15H20O3/c1-10-4-5-15(17-3)12(6-10)8-14(16)13-7-11(2)18-9-13/h4-6,11,13H,7-9H2,1-3H3
InChIKeyIMOKFMZCXJRQEH-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402780
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone
CID 116560715
2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572657
2-(2-methoxy-5-methylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanone
CID 115385766
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79968379
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 79403824
N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
CID 9327312
2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042779
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone (CID 114965714) is 2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone is COc1ccc(C)cc1CC(=O)C1COC(C)C1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone?
The InChIKey is IMOKFMZCXJRQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-4-5-15(17-3)12(6-10)8-14(16)13-7-11(2)18-9-13/h4-6,11,13H,7-9H2,1-3H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone?
2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone has a molecular weight of 248.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone is sourced from PubChem (CID 114965714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).