(5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one

C15H16O4 — CID 46210598

IUPAC(5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one
SMILESCO[C@@]1(/C=C/c2ccccc2)OC(=O)C(CO)=C1C
InChIInChI=1S/C15H16O4/c1-11-13(10-16)14(17)19-15(11,18-2)9-8-12-6-4-3-5-7-12/h3-9,16H,10H2,1-2H3/b9-8+/t15-/m0/s1
InChIKeySQEBMLCQNJOCBG-HVHJFMEUSA-N
MW260.29 g/mol
LogP1.91
Rot. Bonds4

About (5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one

(5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one (PubChem CID 46210598) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one.

Molecular Properties

Compound Name(5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one
PubChem CID46210598
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name(5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one
SMILESCO[C@@]1(/C=C/c2ccccc2)OC(=O)C(CO)=C1C
InChIInChI=1S/C15H16O4/c1-11-13(10-16)14(17)19-15(11,18-2)9-8-12-6-4-3-5-7-12/h3-9,16H,10H2,1-2H3/b9-8+/t15-/m0/s1
InChIKeySQEBMLCQNJOCBG-HVHJFMEUSA-N
XLogP1.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one?
The IUPAC name of (5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one (CID 46210598) is (5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one.
What is the SMILES notation for (5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one?
The canonical SMILES for (5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one is CO[C@@]1(/C=C/c2ccccc2)OC(=O)C(CO)=C1C.
What is the InChIKey of (5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one?
The InChIKey is SQEBMLCQNJOCBG-HVHJFMEUSA-N. The full InChI is InChI=1S/C15H16O4/c1-11-13(10-16)14(17)19-15(11,18-2)9-8-12-6-4-3-5-7-12/h3-9,16H,10H2,1-2H3/b9-8+/t15-/m0/s1.
What are the key properties of (5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one?
(5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(hydroxymethyl)-5-methoxy-4-methyl-5-[(E)-2-phenylethenyl]furan-2-one is sourced from PubChem (CID 46210598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).