(3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione

C16H14O4 — CID 11242675

IUPAC(3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione
SMILESO=C1OC[C@@H]2C(=O)C[C@]3(c4ccccc4)CCOC3=C12
InChIInChI=1S/C16H14O4/c17-12-8-16(10-4-2-1-3-5-10)6-7-19-14(16)13-11(12)9-20-15(13)18/h1-5,11H,6-9H2/t11-,16+/m1/s1
InChIKeyQOMJAXUKLKCNSL-BZNIZROVSA-N
MW270.28 g/mol
LogP1.74
Rot. Bonds1

About (3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione

(3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione (PubChem CID 11242675) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione.

Molecular Properties

Compound Name(3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione
PubChem CID11242675
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione
SMILESO=C1OC[C@@H]2C(=O)C[C@]3(c4ccccc4)CCOC3=C12
InChIInChI=1S/C16H14O4/c17-12-8-16(10-4-2-1-3-5-10)6-7-19-14(16)13-11(12)9-20-15(13)18/h1-5,11H,6-9H2/t11-,16+/m1/s1
InChIKeyQOMJAXUKLKCNSL-BZNIZROVSA-N
XLogP1.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-4,4-diphenylcyclohexan-1-one
CID 68684399
4,4-diphenylcyclopentane-1,2-dione
CID 15724710
2,6-dioxo-4,4-diphenylcyclohexane-1-carboxamide
CID 67153697
2-methyl-4,4-diphenyloxane
CID 152721447
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
3-methyl-3-phenyloxolan-2-one
CID 15937425
3-(4-chlorophenyl)-3-phenyloxolan-2-one
CID 175135173
3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one
CID 23413662
4-methyl-4-phenyl-1,3-oxazinan-2-one
CID 105444856
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
4-chloro-2-(4-phenyloxan-4-yl)pyrimidine
CID 63082885
(1R,4R,5S)-4,5-dimethyl-4-phenylbicyclo[3.1.0]hexan-2-one
CID 13026622

Frequently Asked Questions

What is the IUPAC name of (3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione?
The IUPAC name of (3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione (CID 11242675) is (3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione.
What is the SMILES notation for (3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione?
The canonical SMILES for (3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione is O=C1OC[C@@H]2C(=O)C[C@]3(c4ccccc4)CCOC3=C12.
What is the InChIKey of (3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione?
The InChIKey is QOMJAXUKLKCNSL-BZNIZROVSA-N. The full InChI is InChI=1S/C16H14O4/c17-12-8-16(10-4-2-1-3-5-10)6-7-19-14(16)13-11(12)9-20-15(13)18/h1-5,11H,6-9H2/t11-,16+/m1/s1.
What are the key properties of (3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione?
(3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione has a molecular weight of 270.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione is sourced from PubChem (CID 11242675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).