(1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one

C17H14O2 — CID 166440148

IUPAC(1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one
SMILESO=C1O[C@@H]2Cc3ccccc3[C@@H]2[C@H]1c1ccccc1
InChIInChI=1S/C17H14O2/c18-17-15(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)10-14(16)19-17/h1-9,14-16H,10H2/t14-,15-,16+/m1/s1
InChIKeySFFZOXZDXRJEEV-OAGGEKHMSA-N
MW250.30 g/mol
LogP3.04
Rot. Bonds1

About (1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one

(1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one (PubChem CID 166440148) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one.

Molecular Properties

Compound Name(1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one
PubChem CID166440148
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one
SMILESO=C1O[C@@H]2Cc3ccccc3[C@@H]2[C@H]1c1ccccc1
InChIInChI=1S/C17H14O2/c18-17-15(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)10-14(16)19-17/h1-9,14-16H,10H2/t14-,15-,16+/m1/s1
InChIKeySFFZOXZDXRJEEV-OAGGEKHMSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one?
The IUPAC name of (1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one (CID 166440148) is (1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one.
What is the SMILES notation for (1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one?
The canonical SMILES for (1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one is O=C1O[C@@H]2Cc3ccccc3[C@@H]2[C@H]1c1ccccc1.
What is the InChIKey of (1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one?
The InChIKey is SFFZOXZDXRJEEV-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H14O2/c18-17-15(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)10-14(16)19-17/h1-9,14-16H,10H2/t14-,15-,16+/m1/s1.
What are the key properties of (1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one?
(1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one has a molecular weight of 250.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aR,8bS)-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one is sourced from PubChem (CID 166440148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).