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

C13H11ClO2 — CID 135056978

IUPAC(6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESO=C1C[C@@H]2COCC2=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/t9-/m1/s1
InChIKeyLBNVGPOHEZZYSN-SECBINFHSA-N
MW234.68 g/mol
LogP2.71
Rot. Bonds1

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

(6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 135056978) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is (6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID135056978
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name(6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESO=C1C[C@@H]2COCC2=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/t9-/m1/s1
InChIKeyLBNVGPOHEZZYSN-SECBINFHSA-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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Related Compounds

4-(4-chlorophenyl)-2-methyl-2H-furan-5-one
CID 506537
4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one
CID 506554
4-(4-chlorophenyl)-2-pentyl-2H-furan-5-one
CID 506558
Methyl 3-(4-chlorophenyl)-7-oxabicyclo[2.2.1]hept-2-ene-2-carboxylate
CID 44434540
4-(4-Fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 86065264
1H-Cyclopenta[c]furan-5(3H)-one, 3a,4-dihydro-6-phenyl-
CID 10262188
4-(4-Chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 10900586
3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one
CID 11218159
2-(4-Methylphenyl)-7-oxabicyclo[3.3.0]oct-1-en-3-one
CID 102469155
4-(2-Methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 135039284
(6aR)-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 10998028
(6S,6aS)-6-methyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 10703832

Frequently Asked Questions

What is the IUPAC name of (6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of (6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 135056978) is (6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for (6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for (6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is O=C1C[C@@H]2COCC2=C1c1ccc(Cl)cc1.
What is the InChIKey of (6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is LBNVGPOHEZZYSN-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
(6aS)-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 (6aS)-4-(4-chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 135056978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).