(2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one

C19H14O2 — CID 86338425

IUPAC(2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one
SMILESO=C1C=CO[C@@H](c2c3ccccc3cc3ccccc23)C1
InChIInChI=1S/C19H14O2/c20-15-9-10-21-18(12-15)19-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)19/h1-11,18H,12H2/t18-/m1/s1
InChIKeyLXTOILQJXKQGSL-GOSISDBHSA-N
MW274.32 g/mol
LogP4.54
Rot. Bonds1

About (2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one

(2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one (PubChem CID 86338425) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one
PubChem CID86338425
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name(2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one
SMILESO=C1C=CO[C@@H](c2c3ccccc3cc3ccccc23)C1
InChIInChI=1S/C19H14O2/c20-15-9-10-21-18(12-15)19-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)19/h1-11,18H,12H2/t18-/m1/s1
InChIKeyLXTOILQJXKQGSL-GOSISDBHSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one (CID 86338425) is (2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one is O=C1C=CO[C@@H](c2c3ccccc3cc3ccccc23)C1.
What is the InChIKey of (2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one?
The InChIKey is LXTOILQJXKQGSL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H14O2/c20-15-9-10-21-18(12-15)19-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)19/h1-11,18H,12H2/t18-/m1/s1.
What are the key properties of (2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one?
(2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one has a molecular weight of 274.32 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one is sourced from PubChem (CID 86338425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).