(2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one

C23H18O4S — CID 73441321

IUPAC(2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one
SMILESCO[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@]12OCC=C2c1ccccc1
InChIInChI=1S/C23H18O4S/c1-25-23(20-12-7-15-28-20)22(21(24)17-10-5-6-11-19(17)27-23)18(13-14-26-22)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3/t22-,23+/m1/s1
InChIKeyIEMAUMNLYNLBQP-PKTZIBPZSA-N
MW390.46 g/mol
LogP4.68
Rot. Bonds3

About (2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one

(2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one (PubChem CID 73441321) has the molecular formula C23H18O4S and a molecular weight of 390.46 g/mol. Its IUPAC name is (2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one.

Molecular Properties

Compound Name(2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one
PubChem CID73441321
Molecular FormulaC23H18O4S
Molecular Weight390.46 g/mol
Exact Mass390.09
IUPAC Name(2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one
SMILESCO[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@]12OCC=C2c1ccccc1
InChIInChI=1S/C23H18O4S/c1-25-23(20-12-7-15-28-20)22(21(24)17-10-5-6-11-19(17)27-23)18(13-14-26-22)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3/t22-,23+/m1/s1
InChIKeyIEMAUMNLYNLBQP-PKTZIBPZSA-N
XLogP4.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one?
The IUPAC name of (2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one (CID 73441321) is (2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one.
What is the SMILES notation for (2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one?
The canonical SMILES for (2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one is CO[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@]12OCC=C2c1ccccc1.
What is the InChIKey of (2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one?
The InChIKey is IEMAUMNLYNLBQP-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H18O4S/c1-25-23(20-12-7-15-28-20)22(21(24)17-10-5-6-11-19(17)27-23)18(13-14-26-22)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3/t22-,23+/m1/s1.
What are the key properties of (2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one?
(2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one has a molecular weight of 390.46 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,5R)-2'-methoxy-4-phenyl-2'-thiophen-2-ylspiro[2H-furan-5,3'-chromene]-4'-one is sourced from PubChem (CID 73441321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).