(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one

C19H18O3 — CID 15448194

IUPAC(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
SMILESCC(=O)[C@@H]1[C@@H](c2ccccc2)CC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C19H18O3/c1-13(20)18-16(14-8-4-2-5-9-14)12-17(21)22-19(18)15-10-6-3-7-11-15/h2-11,16,18-19H,12H2,1H3/t16-,18-,19+/m1/s1
InChIKeyLLEWRXKJJCOIJP-QRQLOZEOSA-N
MW294.35 g/mol
LogP3.66
Rot. Bonds3

About (4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one

(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one (PubChem CID 15448194) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one.

Molecular Properties

Compound Name(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
PubChem CID15448194
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
SMILESCC(=O)[C@@H]1[C@@H](c2ccccc2)CC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C19H18O3/c1-13(20)18-16(14-8-4-2-5-9-14)12-17(21)22-19(18)15-10-6-3-7-11-15/h2-11,16,18-19H,12H2,1H3/t16-,18-,19+/m1/s1
InChIKeyLLEWRXKJJCOIJP-QRQLOZEOSA-N
XLogP3.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
4-(4-bromophenyl)-5-phenyloxolan-2-one
CID 144706057
(4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one
CID 132551217
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
(4S,5S)-4-amino-5-phenyloxolan-2-one
CID 10867626
4-(furan-2-yl)-5-phenyloxolan-2-one
CID 144706049
(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride
CID 67643297
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
4-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 144706053
5-(bromomethyl)-4-phenyloxolan-2-one
CID 59051964
4-acetyl-5-(4-fluorophenyl)oxolan-2-one
CID 3021196

Frequently Asked Questions

What is the IUPAC name of (4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one?
The IUPAC name of (4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one (CID 15448194) is (4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one.
What is the SMILES notation for (4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one?
The canonical SMILES for (4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one is CC(=O)[C@@H]1[C@@H](c2ccccc2)CC(=O)O[C@H]1c1ccccc1.
What is the InChIKey of (4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one?
The InChIKey is LLEWRXKJJCOIJP-QRQLOZEOSA-N. The full InChI is InChI=1S/C19H18O3/c1-13(20)18-16(14-8-4-2-5-9-14)12-17(21)22-19(18)15-10-6-3-7-11-15/h2-11,16,18-19H,12H2,1H3/t16-,18-,19+/m1/s1.
What are the key properties of (4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one?
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one is sourced from PubChem (CID 15448194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).