(3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione

C17H14O4 — CID 10356404

IUPAC(3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione
SMILESO=C1C[C@@H]2C3=C(C=C[C@@H]2O1)O[C@@H](c1ccccc1)CC3=O
InChIInChI=1S/C17H14O4/c18-12-9-15(10-4-2-1-3-5-10)20-14-7-6-13-11(17(12)14)8-16(19)21-13/h1-7,11,13,15H,8-9H2/t11-,13-,15+/m0/s1
InChIKeyVISHTIMCJNWYLP-CORIIIEPSA-N
MW282.30 g/mol
LogP2.47
Rot. Bonds1

About (3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione

(3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione (PubChem CID 10356404) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione.

Molecular Properties

Compound Name(3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione
PubChem CID10356404
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name(3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione
SMILESO=C1C[C@@H]2C3=C(C=C[C@@H]2O1)O[C@@H](c1ccccc1)CC3=O
InChIInChI=1S/C17H14O4/c18-12-9-15(10-4-2-1-3-5-10)20-14-7-6-13-11(17(12)14)8-16(19)21-13/h1-7,11,13,15H,8-9H2/t11-,13-,15+/m0/s1
InChIKeyVISHTIMCJNWYLP-CORIIIEPSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione?
The IUPAC name of (3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione (CID 10356404) is (3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione.
What is the SMILES notation for (3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione?
The canonical SMILES for (3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione is O=C1C[C@@H]2C3=C(C=C[C@@H]2O1)O[C@@H](c1ccccc1)CC3=O.
What is the InChIKey of (3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione?
The InChIKey is VISHTIMCJNWYLP-CORIIIEPSA-N. The full InChI is InChI=1S/C17H14O4/c18-12-9-15(10-4-2-1-3-5-10)20-14-7-6-13-11(17(12)14)8-16(19)21-13/h1-7,11,13,15H,8-9H2/t11-,13-,15+/m0/s1.
What are the key properties of (3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione?
(3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione has a molecular weight of 282.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione is sourced from PubChem (CID 10356404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).