2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione

C14H10O5 — CID 10901296

IUPAC2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione
SMILESO=C1C[C@@H](O)[C@@H](C2=CC(=O)c3ccccc3C2=O)O1
InChIInChI=1S/C14H10O5/c15-10-5-9(14-11(16)6-12(17)19-14)13(18)8-4-2-1-3-7(8)10/h1-5,11,14,16H,6H2/t11-,14-/m1/s1
InChIKeyLVEBUCVBJRBSIE-BXUZGUMPSA-N
MW258.23 g/mol
LogP0.67
Rot. Bonds1

About 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione

2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione (PubChem CID 10901296) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione.

Molecular Properties

Compound Name2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione
PubChem CID10901296
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione
SMILESO=C1C[C@@H](O)[C@@H](C2=CC(=O)c3ccccc3C2=O)O1
InChIInChI=1S/C14H10O5/c15-10-5-9(14-11(16)6-12(17)19-14)13(18)8-4-2-1-3-7(8)10/h1-5,11,14,16H,6H2/t11-,14-/m1/s1
InChIKeyLVEBUCVBJRBSIE-BXUZGUMPSA-N
XLogP0.67
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione?
The IUPAC name of 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione (CID 10901296) is 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione.
What is the SMILES notation for 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione?
The canonical SMILES for 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione is O=C1C[C@@H](O)[C@@H](C2=CC(=O)c3ccccc3C2=O)O1.
What is the InChIKey of 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione?
The InChIKey is LVEBUCVBJRBSIE-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H10O5/c15-10-5-9(14-11(16)6-12(17)19-14)13(18)8-4-2-1-3-7(8)10/h1-5,11,14,16H,6H2/t11-,14-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione?
2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione has a molecular weight of 258.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione is sourced from PubChem (CID 10901296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).