3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol

C19H24O5S — CID 23973891

IUPAC3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol
SMILESCOCC1=C2[C@@H](CC/C(C)=C/c3cccc(O)c3)OC[C@@H]2S(=O)(=O)C1
InChIInChI=1S/C19H24O5S/c1-13(8-14-4-3-5-16(20)9-14)6-7-17-19-15(10-23-2)12-25(21,22)18(19)11-24-17/h3-5,8-9,17-18,20H,6-7,10-12H2,1-2H3/b13-8+/t17-,18+/m1/s1
InChIKeyGULAMOLERCDCKU-SUHLXZCWSA-N
MW364.46 g/mol
LogP2.71
Rot. Bonds6

About 3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol

3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol (PubChem CID 23973891) has the molecular formula C19H24O5S and a molecular weight of 364.46 g/mol. Its IUPAC name is 3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol.

Molecular Properties

Compound Name3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol
PubChem CID23973891
Molecular FormulaC19H24O5S
Molecular Weight364.46 g/mol
Exact Mass364.13
IUPAC Name3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol
SMILESCOCC1=C2[C@@H](CC/C(C)=C/c3cccc(O)c3)OC[C@@H]2S(=O)(=O)C1
InChIInChI=1S/C19H24O5S/c1-13(8-14-4-3-5-16(20)9-14)6-7-17-19-15(10-23-2)12-25(21,22)18(19)11-24-17/h3-5,8-9,17-18,20H,6-7,10-12H2,1-2H3/b13-8+/t17-,18+/m1/s1
InChIKeyGULAMOLERCDCKU-SUHLXZCWSA-N
XLogP2.71
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol 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 3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol?
The IUPAC name of 3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol (CID 23973891) is 3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol.
What is the SMILES notation for 3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol?
The canonical SMILES for 3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol is COCC1=C2[C@@H](CC/C(C)=C/c3cccc(O)c3)OC[C@@H]2S(=O)(=O)C1.
What is the InChIKey of 3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol?
The InChIKey is GULAMOLERCDCKU-SUHLXZCWSA-N. The full InChI is InChI=1S/C19H24O5S/c1-13(8-14-4-3-5-16(20)9-14)6-7-17-19-15(10-23-2)12-25(21,22)18(19)11-24-17/h3-5,8-9,17-18,20H,6-7,10-12H2,1-2H3/b13-8+/t17-,18+/m1/s1.
What are the key properties of 3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol?
3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol has a molecular weight of 364.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-[(4R,6aR)-3-(methoxymethyl)-1,1-dioxo-2,4,6,6a-tetrahydrothieno[2,3-c]furan-4-yl]-2-methylbut-1-enyl]phenol is sourced from PubChem (CID 23973891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).