3-benzyl-4-hydroxy-2H-furan-5-one

C11H10O3 — CID 15082540

IUPAC3-benzyl-4-hydroxy-2H-furan-5-one
SMILESO=C1OCC(Cc2ccccc2)=C1O
InChIInChI=1S/C11H10O3/c12-10-9(7-14-11(10)13)6-8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChIKeyWQHFKIOAJWTOSA-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.60
Rot. Bonds2

About 3-benzyl-4-hydroxy-2H-furan-5-one

3-benzyl-4-hydroxy-2H-furan-5-one (PubChem CID 15082540) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-2H-furan-5-one
PubChem CID15082540
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name3-benzyl-4-hydroxy-2H-furan-5-one
SMILESO=C1OCC(Cc2ccccc2)=C1O
InChIInChI=1S/C11H10O3/c12-10-9(7-14-11(10)13)6-8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChIKeyWQHFKIOAJWTOSA-UHFFFAOYSA-N
XLogP1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-4-phenyl-2H-furan-5-one
CID 11593998
3-(3-benzyl-4-hydroxy-2H-chromen-7-yl)benzoic acid
CID 19426928
4-chloro-3-(2-phenylethyl)-2H-furan-5-one
CID 102232898
4-benzyl-3-hydroxy-2H-furan-5-one;2-(2-hydroxyethylamino)ethanol
CID 54697198
3-[(3,5-dihydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-2H-furan-5-one
CID 102484296
phenyl(113C)methylbenzene
CID 11194569
(3-benzyl-2H-chromen-4-yl) 2,2,2-trifluoroacetate
CID 53467055
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
benzylbenzene;phosphoric acid
CID 161249494
6-benzyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 122636028
5-benzyl-1-benzofuran-3-one
CID 62272990
3-benzyl-4-hydroxy-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyran-2-one
CID 54731262

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-2H-furan-5-one?
The IUPAC name of 3-benzyl-4-hydroxy-2H-furan-5-one (CID 15082540) is 3-benzyl-4-hydroxy-2H-furan-5-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-2H-furan-5-one?
The canonical SMILES for 3-benzyl-4-hydroxy-2H-furan-5-one is O=C1OCC(Cc2ccccc2)=C1O.
What is the InChIKey of 3-benzyl-4-hydroxy-2H-furan-5-one?
The InChIKey is WQHFKIOAJWTOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-10-9(7-14-11(10)13)6-8-4-2-1-3-5-8/h1-5,12H,6-7H2.
What are the key properties of 3-benzyl-4-hydroxy-2H-furan-5-one?
3-benzyl-4-hydroxy-2H-furan-5-one has a molecular weight of 190.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-2H-furan-5-one is sourced from PubChem (CID 15082540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).