1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone

C14H16O2 — CID 66881711

IUPAC1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone
SMILESCC(=O)C1(Cc2ccccc2)OC=CC1C
InChIInChI=1S/C14H16O2/c1-11-8-9-16-14(11,12(2)15)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyZWUMQQPHQSFOEK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.74
Rot. Bonds3

About 1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone

1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone (PubChem CID 66881711) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone
PubChem CID66881711
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone
SMILESCC(=O)C1(Cc2ccccc2)OC=CC1C
InChIInChI=1S/C14H16O2/c1-11-8-9-16-14(11,12(2)15)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyZWUMQQPHQSFOEK-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone?
The IUPAC name of 1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone (CID 66881711) is 1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone.
What is the SMILES notation for 1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone?
The canonical SMILES for 1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone is CC(=O)C1(Cc2ccccc2)OC=CC1C.
What is the InChIKey of 1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone?
The InChIKey is ZWUMQQPHQSFOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-11-8-9-16-14(11,12(2)15)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone?
1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-3-methyl-3H-furan-2-yl)ethanone is sourced from PubChem (CID 66881711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).