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

C13H14O — CID 15871516

IUPAC(3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
SMILESC1=C2OCC[C@H]2C[C@H]1c1ccccc1
InChIInChI=1S/C13H14O/c1-2-4-10(5-3-1)12-8-11-6-7-14-13(11)9-12/h1-5,9,11-12H,6-8H2/t11-,12+/m0/s1
InChIKeyTUESFKREDCIHSK-NWDGAFQWSA-N
MW186.25 g/mol
LogP3.09
Rot. Bonds1

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

(3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan (PubChem CID 15871516) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
PubChem CID15871516
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
SMILESC1=C2OCC[C@H]2C[C@H]1c1ccccc1
InChIInChI=1S/C13H14O/c1-2-4-10(5-3-1)12-8-11-6-7-14-13(11)9-12/h1-5,9,11-12H,6-8H2/t11-,12+/m0/s1
InChIKeyTUESFKREDCIHSK-NWDGAFQWSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan?
The IUPAC name of (3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan (CID 15871516) is (3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan is C1=C2OCC[C@H]2C[C@H]1c1ccccc1.
What is the InChIKey of (3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan?
The InChIKey is TUESFKREDCIHSK-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H14O/c1-2-4-10(5-3-1)12-8-11-6-7-14-13(11)9-12/h1-5,9,11-12H,6-8H2/t11-,12+/m0/s1.
What are the key properties of (3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan?
(3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan has a molecular weight of 186.25 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 15871516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).