(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

C13H14O2 — CID 11252672

IUPAC(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESO=C1OC[C@H]2[C@@H](c3ccccc3)CC[C@@H]12
InChIInChI=1S/C13H14O2/c14-13-11-7-6-10(12(11)8-15-13)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-,12+/m1/s1
InChIKeyQGFHWOHNOJMZIO-UTUOFQBUSA-N
MW202.25 g/mol
LogP2.35
Rot. Bonds1

About (3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (PubChem CID 11252672) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
PubChem CID11252672
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESO=C1OC[C@H]2[C@@H](c3ccccc3)CC[C@@H]12
InChIInChI=1S/C13H14O2/c14-13-11-7-6-10(12(11)8-15-13)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-,12+/m1/s1
InChIKeyQGFHWOHNOJMZIO-UTUOFQBUSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one with MolForge

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Related Compounds

(3aS,7R,7aS)-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 10560670
2-oxo-4-phenyloxolane-3-carbonitrile
CID 12932810
(3S,4R)-3,4-diphenyloxan-2-one
CID 102139812
(3R,3aR,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 13148720
(3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one
CID 122222249
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
(4R,5R)-5-methyl-4-phenyloxan-2-one
CID 10607707
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(1S,2S,4R)-2-phenylbicyclo[2.2.1]heptan-7-one
CID 10607594
(3R,5R)-3-methyl-5-phenylmorpholin-2-one
CID 15042724
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The IUPAC name of (3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (CID 11252672) is (3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for (3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The canonical SMILES for (3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is O=C1OC[C@H]2[C@@H](c3ccccc3)CC[C@@H]12.
What is the InChIKey of (3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The InChIKey is QGFHWOHNOJMZIO-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H14O2/c14-13-11-7-6-10(12(11)8-15-13)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-,12+/m1/s1.
What are the key properties of (3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one has a molecular weight of 202.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 11252672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).