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

C19H18O3 — CID 101367862

IUPAC(1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one
SMILESCCO[C@H]1c2ccccc2[C@H]2[C@@H]1OC(=O)[C@@H]2c1ccccc1
InChIInChI=1S/C19H18O3/c1-2-21-17-14-11-7-6-10-13(14)16-15(19(20)22-18(16)17)12-8-4-3-5-9-12/h3-11,15-18H,2H2,1H3/t15-,16-,17+,18+/m1/s1
InChIKeyFIGZWAHBCYXBDD-BDXSIMOUSA-N
MW294.35 g/mol
LogP3.57
Rot. Bonds3

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

(1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one (PubChem CID 101367862) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one.

Molecular Properties

Compound Name(1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one
PubChem CID101367862
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one
SMILESCCO[C@H]1c2ccccc2[C@H]2[C@@H]1OC(=O)[C@@H]2c1ccccc1
InChIInChI=1S/C19H18O3/c1-2-21-17-14-11-7-6-10-13(14)16-15(19(20)22-18(16)17)12-8-4-3-5-9-12/h3-11,15-18H,2H2,1H3/t15-,16-,17+,18+/m1/s1
InChIKeyFIGZWAHBCYXBDD-BDXSIMOUSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one?
The IUPAC name of (1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one (CID 101367862) is (1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one.
What is the SMILES notation for (1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one?
The canonical SMILES for (1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one is CCO[C@H]1c2ccccc2[C@H]2[C@@H]1OC(=O)[C@@H]2c1ccccc1.
What is the InChIKey of (1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one?
The InChIKey is FIGZWAHBCYXBDD-BDXSIMOUSA-N. The full InChI is InChI=1S/C19H18O3/c1-2-21-17-14-11-7-6-10-13(14)16-15(19(20)22-18(16)17)12-8-4-3-5-9-12/h3-11,15-18H,2H2,1H3/t15-,16-,17+,18+/m1/s1.
What are the key properties of (1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one?
(1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,4S,8bS)-4-ethoxy-1-phenyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one is sourced from PubChem (CID 101367862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).