(3R)-3-(4-phenylphenyl)oxane-2,6-dione

C17H14O3 — CID 125486229

IUPAC(3R)-3-(4-phenylphenyl)oxane-2,6-dione
SMILESO=C1CC[C@H](c2ccc(-c3ccccc3)cc2)C(=O)O1
InChIInChI=1S/C17H14O3/c18-16-11-10-15(17(19)20-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m1/s1
InChIKeyWPCMCYCKKAHBFL-OAHLLOKOSA-N
MW266.30 g/mol
LogP3.30
Rot. Bonds2

About (3R)-3-(4-phenylphenyl)oxane-2,6-dione

(3R)-3-(4-phenylphenyl)oxane-2,6-dione (PubChem CID 125486229) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3R)-3-(4-phenylphenyl)oxane-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(4-phenylphenyl)oxane-2,6-dione
PubChem CID125486229
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(3R)-3-(4-phenylphenyl)oxane-2,6-dione
SMILESO=C1CC[C@H](c2ccc(-c3ccccc3)cc2)C(=O)O1
InChIInChI=1S/C17H14O3/c18-16-11-10-15(17(19)20-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m1/s1
InChIKeyWPCMCYCKKAHBFL-OAHLLOKOSA-N
XLogP3.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-phenylphenyl)oxane-2,6-dione?
The IUPAC name of (3R)-3-(4-phenylphenyl)oxane-2,6-dione (CID 125486229) is (3R)-3-(4-phenylphenyl)oxane-2,6-dione.
What is the SMILES notation for (3R)-3-(4-phenylphenyl)oxane-2,6-dione?
The canonical SMILES for (3R)-3-(4-phenylphenyl)oxane-2,6-dione is O=C1CC[C@H](c2ccc(-c3ccccc3)cc2)C(=O)O1.
What is the InChIKey of (3R)-3-(4-phenylphenyl)oxane-2,6-dione?
The InChIKey is WPCMCYCKKAHBFL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14O3/c18-16-11-10-15(17(19)20-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m1/s1.
What are the key properties of (3R)-3-(4-phenylphenyl)oxane-2,6-dione?
(3R)-3-(4-phenylphenyl)oxane-2,6-dione has a molecular weight of 266.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-phenylphenyl)oxane-2,6-dione is sourced from PubChem (CID 125486229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).