1-[3-(oxolan-3-yl)phenyl]propan-2-one

C13H16O2 — CID 83832521

IUPAC1-[3-(oxolan-3-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(C2CCOC2)c1
InChIInChI=1S/C13H16O2/c1-10(14)7-11-3-2-4-12(8-11)13-5-6-15-9-13/h2-4,8,13H,5-7,9H2,1H3
InChIKeyRRYHMLYNDNAWIY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.32
Rot. Bonds3

About 1-[3-(oxolan-3-yl)phenyl]propan-2-one

1-[3-(oxolan-3-yl)phenyl]propan-2-one (PubChem CID 83832521) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[3-(oxolan-3-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-(oxolan-3-yl)phenyl]propan-2-one
PubChem CID83832521
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-[3-(oxolan-3-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(C2CCOC2)c1
InChIInChI=1S/C13H16O2/c1-10(14)7-11-3-2-4-12(8-11)13-5-6-15-9-13/h2-4,8,13H,5-7,9H2,1H3
InChIKeyRRYHMLYNDNAWIY-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-3-yl)phenyl]propan-2-one?
The IUPAC name of 1-[3-(oxolan-3-yl)phenyl]propan-2-one (CID 83832521) is 1-[3-(oxolan-3-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-(oxolan-3-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-(oxolan-3-yl)phenyl]propan-2-one is CC(=O)Cc1cccc(C2CCOC2)c1.
What is the InChIKey of 1-[3-(oxolan-3-yl)phenyl]propan-2-one?
The InChIKey is RRYHMLYNDNAWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10(14)7-11-3-2-4-12(8-11)13-5-6-15-9-13/h2-4,8,13H,5-7,9H2,1H3.
What are the key properties of 1-[3-(oxolan-3-yl)phenyl]propan-2-one?
1-[3-(oxolan-3-yl)phenyl]propan-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-3-yl)phenyl]propan-2-one is sourced from PubChem (CID 83832521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).