(3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

C19H18O2 — CID 15259021

IUPAC(3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESO=C1C[C@H]2C[C@@H](c3ccccc3)C[C@@]2(c2ccccc2)O1
InChIInChI=1S/C19H18O2/c20-18-12-17-11-15(14-7-3-1-4-8-14)13-19(17,21-18)16-9-5-2-6-10-16/h1-10,15,17H,11-13H2/t15-,17-,19+/m1/s1
InChIKeyIZITZLLYZURFGB-SUMDDJOVSA-N
MW278.35 g/mol
LogP4.02
Rot. Bonds2

About (3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

(3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (PubChem CID 15259021) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
PubChem CID15259021
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESO=C1C[C@H]2C[C@@H](c3ccccc3)C[C@@]2(c2ccccc2)O1
InChIInChI=1S/C19H18O2/c20-18-12-17-11-15(14-7-3-1-4-8-14)13-19(17,21-18)16-9-5-2-6-10-16/h1-10,15,17H,11-13H2/t15-,17-,19+/m1/s1
InChIKeyIZITZLLYZURFGB-SUMDDJOVSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one with MolForge

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Related Compounds

4,6-diphenyloxan-2-one
CID 78061466
(4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one
CID 101447740
trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one
CID 13216000
trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one
CID 13216005
(3aR,8S,9aS,9bR)-3a,6,6,9a-tetramethyl-8-phenyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 166130483
(2S,3S)-2-phenyl-5-oxaspiro[2.5]oct-7-en-4-one
CID 102153001
N-ethyl-3-phenylbicyclo[3.1.0]hexan-1-amine
CID 69280900
(3-ethyl-3,5-dimethylcyclohexyl)benzene
CID 20692192
5-phenyloxocane-2,8-dione
CID 83888033
3-oxo-5-phenylcyclohexane-1-carbaldehyde
CID 22007917
(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
CID 11745429
(2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 23238357

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of (3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (CID 15259021) is (3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is O=C1C[C@H]2C[C@@H](c3ccccc3)C[C@@]2(c2ccccc2)O1.
What is the InChIKey of (3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is IZITZLLYZURFGB-SUMDDJOVSA-N. The full InChI is InChI=1S/C19H18O2/c20-18-12-17-11-15(14-7-3-1-4-8-14)13-19(17,21-18)16-9-5-2-6-10-16/h1-10,15,17H,11-13H2/t15-,17-,19+/m1/s1.
What are the key properties of (3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
(3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one has a molecular weight of 278.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6aR)-5,6a-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 15259021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).