1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one

C22H18Cl2O4 — CID 158589230

IUPAC1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one
SMILESO=C1CC2c3ccccc3CC2O1.O=C1OC2Cc3ccccc3C2C1(Cl)Cl
InChIInChI=1S/C11H8Cl2O2.C11H10O2/c12-11(13)9-7-4-2-1-3-6(7)5-8(9)15-10(11)14;12-11-6-9-8-4-2-1-3-7(8)5-10(9)13-11/h1-4,8-9H,5H2;1-4,9-10H,5-6H2
InChIKeyHUFUEAVUOZOXJG-UHFFFAOYSA-N
MW417.29 g/mol
LogP4.07
Rot. Bonds

About 1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one

1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one (PubChem CID 158589230) has the molecular formula C22H18Cl2O4 and a molecular weight of 417.29 g/mol. Its IUPAC name is 1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one.

Molecular Properties

Compound Name1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one
PubChem CID158589230
Molecular FormulaC22H18Cl2O4
Molecular Weight417.29 g/mol
Exact Mass416.06
IUPAC Name1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one
SMILESO=C1CC2c3ccccc3CC2O1.O=C1OC2Cc3ccccc3C2C1(Cl)Cl
InChIInChI=1S/C11H8Cl2O2.C11H10O2/c12-11(13)9-7-4-2-1-3-6(7)5-8(9)15-10(11)14;12-11-6-9-8-4-2-1-3-7(8)5-10(9)13-11/h1-4,8-9H,5H2;1-4,9-10H,5-6H2
InChIKeyHUFUEAVUOZOXJG-UHFFFAOYSA-N
XLogP4.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]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 1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one?
The IUPAC name of 1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one (CID 158589230) is 1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one.
What is the SMILES notation for 1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one?
The canonical SMILES for 1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one is O=C1CC2c3ccccc3CC2O1.O=C1OC2Cc3ccccc3C2C1(Cl)Cl.
What is the InChIKey of 1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one?
The InChIKey is HUFUEAVUOZOXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O2.C11H10O2/c12-11(13)9-7-4-2-1-3-6(7)5-8(9)15-10(11)14;12-11-6-9-8-4-2-1-3-7(8)5-10(9)13-11/h1-4,8-9H,5H2;1-4,9-10H,5-6H2.
What are the key properties of 1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one?
1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one has a molecular weight of 417.29 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one;1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one is sourced from PubChem (CID 158589230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).