4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C13H11ClO2 — CID 10900586

IUPAC4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESO=C1CC2COCC2=C1c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClO2/c14-10-3-1-8(2-4-10)13-11-7-16-6-9(11)5-12(13)15/h1-4,9H,5-7H2
InChIKeyLBNVGPOHEZZYSN-UHFFFAOYSA-N
MW234.68 g/mol
LogP2.71
Rot. Bonds1

About 4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 10900586) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID10900586
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESO=C1CC2COCC2=C1c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClO2/c14-10-3-1-8(2-4-10)13-11-7-16-6-9(11)5-12(13)15/h1-4,9H,5-7H2
InChIKeyLBNVGPOHEZZYSN-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of 4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 10900586) is 4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for 4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is O=C1CC2COCC2=C1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is LBNVGPOHEZZYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c14-10-3-1-8(2-4-10)13-11-7-16-6-9(11)5-12(13)15/h1-4,9H,5-7H2.
What are the key properties of 4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 234.68 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 10900586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).