(3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one

C20H14O5 — CID 166724679

IUPAC(3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one
SMILESO=C1OC2(C3=CC[C@@H](O)C=C3Oc3cc(O)ccc32)c2ccccc21
InChIInChI=1S/C20H14O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-5,7-10,12,21-22H,6H2/t12-,20?/m1/s1
InChIKeyKXBUJFGEWNDYIP-ZRIYNBNISA-N
MW334.33 g/mol
LogP2.77
Rot. Bonds

About (3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one

(3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one (PubChem CID 166724679) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is (3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one.

Molecular Properties

Compound Name(3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one
PubChem CID166724679
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name(3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one
SMILESO=C1OC2(C3=CC[C@@H](O)C=C3Oc3cc(O)ccc32)c2ccccc21
InChIInChI=1S/C20H14O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-5,7-10,12,21-22H,6H2/t12-,20?/m1/s1
InChIKeyKXBUJFGEWNDYIP-ZRIYNBNISA-N
XLogP2.77
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one?
The IUPAC name of (3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one (CID 166724679) is (3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one.
What is the SMILES notation for (3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one?
The canonical SMILES for (3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one is O=C1OC2(C3=CC[C@@H](O)C=C3Oc3cc(O)ccc32)c2ccccc21.
What is the InChIKey of (3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one?
The InChIKey is KXBUJFGEWNDYIP-ZRIYNBNISA-N. The full InChI is InChI=1S/C20H14O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-5,7-10,12,21-22H,6H2/t12-,20?/m1/s1.
What are the key properties of (3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one?
(3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one has a molecular weight of 334.33 g/mol, XLogP of 2.77, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,6-dihydroxyspiro[2,3-dihydroxanthene-9,3'-2-benzofuran]-1'-one is sourced from PubChem (CID 166724679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).