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

C11H8Cl2O2 — CID 10490395

IUPAC1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one
SMILESO=C1OC2Cc3ccccc3C2C1(Cl)Cl
InChIInChI=1S/C11H8Cl2O2/c12-11(13)9-7-4-2-1-3-6(7)5-8(9)15-10(11)14/h1-4,8-9H,5H2
InChIKeyMKUSZVAKHXILGS-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.43
Rot. Bonds

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

1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one (PubChem CID 10490395) has the molecular formula C11H8Cl2O2 and a molecular weight of 243.09 g/mol. Its IUPAC name is 1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one.

Molecular Properties

Compound Name1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one
PubChem CID10490395
Molecular FormulaC11H8Cl2O2
Molecular Weight243.09 g/mol
Exact Mass241.99
IUPAC Name1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one
SMILESO=C1OC2Cc3ccccc3C2C1(Cl)Cl
InChIInChI=1S/C11H8Cl2O2/c12-11(13)9-7-4-2-1-3-6(7)5-8(9)15-10(11)14/h1-4,8-9H,5H2
InChIKeyMKUSZVAKHXILGS-UHFFFAOYSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one?
The IUPAC name of 1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one (CID 10490395) is 1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one.
What is the SMILES notation for 1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one?
The canonical SMILES for 1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one is O=C1OC2Cc3ccccc3C2C1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one?
The InChIKey is MKUSZVAKHXILGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O2/c12-11(13)9-7-4-2-1-3-6(7)5-8(9)15-10(11)14/h1-4,8-9H,5H2.
What are the key properties of 1,1-dichloro-4,8b-dihydro-3aH-indeno[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 243.09 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-4,8b-dihydro-3aH-indeno[2,1-b]furan-2-one is sourced from PubChem (CID 10490395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).