1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone

C13H14O2 — CID 13168909

IUPAC1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone
SMILESCC(=O)C1=C(C)OC(c2ccccc2)C1
InChIInChI=1S/C13H14O2/c1-9(14)12-8-13(15-10(12)2)11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3
InChIKeyXKDPVQLWXIOLGX-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.01
Rot. Bonds2

About 1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone

1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone (PubChem CID 13168909) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone
PubChem CID13168909
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone
SMILESCC(=O)C1=C(C)OC(c2ccccc2)C1
InChIInChI=1S/C13H14O2/c1-9(14)12-8-13(15-10(12)2)11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3
InChIKeyXKDPVQLWXIOLGX-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone?
The IUPAC name of 1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone (CID 13168909) is 1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone is CC(=O)C1=C(C)OC(c2ccccc2)C1.
What is the InChIKey of 1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone?
The InChIKey is XKDPVQLWXIOLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9(14)12-8-13(15-10(12)2)11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3.
What are the key properties of 1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone?
1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone has a molecular weight of 202.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenyl-2,3-dihydrofuran-4-yl)ethanone is sourced from PubChem (CID 13168909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).