2-benzyl-2H-furan-5-one

C11H10O2 — CID 13297886

IUPAC2-benzyl-2H-furan-5-one
SMILESO=C1C=CC(Cc2ccccc2)O1
InChIInChI=1S/C11H10O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-7,10H,8H2
InChIKeyHMOUKSOZXCJJBN-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.71
Rot. Bonds2

About 2-benzyl-2H-furan-5-one

2-benzyl-2H-furan-5-one (PubChem CID 13297886) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-benzyl-2H-furan-5-one.

Molecular Properties

Compound Name2-benzyl-2H-furan-5-one
PubChem CID13297886
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2-benzyl-2H-furan-5-one
SMILESO=C1C=CC(Cc2ccccc2)O1
InChIInChI=1S/C11H10O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-7,10H,8H2
InChIKeyHMOUKSOZXCJJBN-UHFFFAOYSA-N
XLogP1.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(phenoxymethyl)-2H-furan-5-one
CID 11275514
(2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one
CID 135026714
(4S,7S)-4,7-dibenzyl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine
CID 10742121
(3S,5R)-3-benzyl-5-hydroxyoxolan-2-one
CID 95735266
6-benzylcyclohexa-2,4-dien-1-one
CID 14833665
2-phenylsulfanyl-2H-furan-5-one
CID 15268021
2-(trimethylsilyloxymethyl)-2H-furan-5-one
CID 20816445
(3S,4R)-3-amino-4-benzyloxetan-2-one
CID 10058065
(2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one
CID 125485515
(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
CID 15012939
(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one
CID 13391762
[(2S)-5-oxo-2H-furan-2-yl]methyl sulfamate
CID 62705949

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2H-furan-5-one?
The IUPAC name of 2-benzyl-2H-furan-5-one (CID 13297886) is 2-benzyl-2H-furan-5-one.
What is the SMILES notation for 2-benzyl-2H-furan-5-one?
The canonical SMILES for 2-benzyl-2H-furan-5-one is O=C1C=CC(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-2H-furan-5-one?
The InChIKey is HMOUKSOZXCJJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-7,10H,8H2.
What are the key properties of 2-benzyl-2H-furan-5-one?
2-benzyl-2H-furan-5-one has a molecular weight of 174.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2H-furan-5-one is sourced from PubChem (CID 13297886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).