3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one

C13H14O3 — CID 69066807

IUPAC3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one
SMILESO=C1C=C(O)C(CCCc2ccccc2)O1
InChIInChI=1S/C13H14O3/c14-11-9-13(15)16-12(11)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9,12,14H,4,7-8H2
InChIKeyCDRAXZCZZUYGRB-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.38
Rot. Bonds4

About 3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one

3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one (PubChem CID 69066807) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one
PubChem CID69066807
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one
SMILESO=C1C=C(O)C(CCCc2ccccc2)O1
InChIInChI=1S/C13H14O3/c14-11-9-13(15)16-12(11)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9,12,14H,4,7-8H2
InChIKeyCDRAXZCZZUYGRB-UHFFFAOYSA-N
XLogP2.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one?
The IUPAC name of 3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one (CID 69066807) is 3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one is O=C1C=C(O)C(CCCc2ccccc2)O1.
What is the InChIKey of 3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one?
The InChIKey is CDRAXZCZZUYGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-11-9-13(15)16-12(11)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9,12,14H,4,7-8H2.
What are the key properties of 3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one?
3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one has a molecular weight of 218.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one is sourced from PubChem (CID 69066807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).