3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one

C15H14Cl2O2 — CID 23392381

IUPAC3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H14Cl2O2/c1-9-4-11-8-19-14(18)15(11,6-9)7-10-2-3-12(16)5-13(10)17/h2-3,5,11H,1,4,6-8H2
InChIKeyNDWOVMVQGBUZHC-UHFFFAOYSA-N
MW297.18 g/mol
LogP4.05
Rot. Bonds2

About 3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one

3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 23392381) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID23392381
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H14Cl2O2/c1-9-4-11-8-19-14(18)15(11,6-9)7-10-2-3-12(16)5-13(10)17/h2-3,5,11H,1,4,6-8H2
InChIKeyNDWOVMVQGBUZHC-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-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 3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of 3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (CID 23392381) is 3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is C=C1CC2COC(=O)C2(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is NDWOVMVQGBUZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c1-9-4-11-8-19-14(18)15(11,6-9)7-10-2-3-12(16)5-13(10)17/h2-3,5,11H,1,4,6-8H2.
What are the key properties of 3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 297.18 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-[(2,4-dichlorophenyl)methyl]-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 23392381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).