1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone

C13H16O3 — CID 63556467

IUPAC1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone
SMILESCc1ccc(C(=O)COC2CCOC2)cc1
InChIInChI=1S/C13H16O3/c1-10-2-4-11(5-3-10)13(14)9-16-12-6-7-15-8-12/h2-5,12H,6-9H2,1H3
InChIKeyUGEQZBAAMXROKP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.98
Rot. Bonds4

About 1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone

1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone (PubChem CID 63556467) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone
PubChem CID63556467
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone
SMILESCc1ccc(C(=O)COC2CCOC2)cc1
InChIInChI=1S/C13H16O3/c1-10-2-4-11(5-3-10)13(14)9-16-12-6-7-15-8-12/h2-5,12H,6-9H2,1H3
InChIKeyUGEQZBAAMXROKP-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone (CID 63556467) is 1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone is Cc1ccc(C(=O)COC2CCOC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone?
The InChIKey is UGEQZBAAMXROKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-10-2-4-11(5-3-10)13(14)9-16-12-6-7-15-8-12/h2-5,12H,6-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone?
1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone has a molecular weight of 220.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone is sourced from PubChem (CID 63556467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).