2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone

C16H16O2 — CID 83171826

IUPAC2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone
SMILESO=C(Cc1ccoc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H16O2/c17-15(11-13-7-10-18-12-13)16(8-4-9-16)14-5-2-1-3-6-14/h1-3,5-7,10,12H,4,8-9,11H2
InChIKeyMCAVUDAYJRWFLK-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.51
Rot. Bonds4

About 2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone

2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone (PubChem CID 83171826) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone.

Molecular Properties

Compound Name2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone
PubChem CID83171826
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone
SMILESO=C(Cc1ccoc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H16O2/c17-15(11-13-7-10-18-12-13)16(8-4-9-16)14-5-2-1-3-6-14/h1-3,5-7,10,12H,4,8-9,11H2
InChIKeyMCAVUDAYJRWFLK-UHFFFAOYSA-N
XLogP3.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone?
The IUPAC name of 2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone (CID 83171826) is 2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone.
What is the SMILES notation for 2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone?
The canonical SMILES for 2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone is O=C(Cc1ccoc1)C1(c2ccccc2)CCC1.
What is the InChIKey of 2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone?
The InChIKey is MCAVUDAYJRWFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-15(11-13-7-10-18-12-13)16(8-4-9-16)14-5-2-1-3-6-14/h1-3,5-7,10,12H,4,8-9,11H2.
What are the key properties of 2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone?
2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone has a molecular weight of 240.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone is sourced from PubChem (CID 83171826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).