(3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one

C19H19FO2 — CID 134918332

IUPAC(3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one
SMILESO=C1OCC[C@@H](CCc2ccccc2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H19FO2/c20-17-10-8-15(9-11-17)18-16(12-13-22-19(18)21)7-6-14-4-2-1-3-5-14/h1-5,8-11,16,18H,6-7,12-13H2/t16-,18+/m1/s1
InChIKeyMJDRUVBYGHXVDW-AEFFLSMTSA-N
MW298.36 g/mol
LogP4.11
Rot. Bonds4

About (3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one

(3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one (PubChem CID 134918332) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is (3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one.

Molecular Properties

Compound Name(3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one
PubChem CID134918332
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Name(3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one
SMILESO=C1OCC[C@@H](CCc2ccccc2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H19FO2/c20-17-10-8-15(9-11-17)18-16(12-13-22-19(18)21)7-6-14-4-2-1-3-5-14/h1-5,8-11,16,18H,6-7,12-13H2/t16-,18+/m1/s1
InChIKeyMJDRUVBYGHXVDW-AEFFLSMTSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3,4-diphenyloxan-2-one
CID 102139812
trans-(2R,3S)-3-benzyl-2-(4-fluorophenyl)cyclohexan-1-one
CID 164673399
3-(2-phenylethylamino)oxolan-2-one
CID 43823897
2,5-bis(2-phenylethyl)-7-oxabicyclo[4.1.0]heptane
CID 72711714
(3R,4R)-3-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methoxymethyl]oxan-2-one
CID 134918174
2-phenylethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7028692
(3R,4S)-4-butyl-3-phenyloxolan-2-one
CID 12063781
(5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 94811615
(6S)-6-(4-fluorophenyl)-4-(2-phenylethyl)morpholin-3-one
CID 15982290
[(2R,3S,4S,7S)-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-2-(2-phenylethyl)-1,5-dioxonan-7-yl]azanium chloride
CID 118644094
2-(2-phenylethyl)oxetane
CID 13354102
(4R)-4-(4-fluorophenyl)-6-(2-phenylethyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 40813751

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one?
The IUPAC name of (3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one (CID 134918332) is (3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one.
What is the SMILES notation for (3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one?
The canonical SMILES for (3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one is O=C1OCC[C@@H](CCc2ccccc2)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one?
The InChIKey is MJDRUVBYGHXVDW-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H19FO2/c20-17-10-8-15(9-11-17)18-16(12-13-22-19(18)21)7-6-14-4-2-1-3-5-14/h1-5,8-11,16,18H,6-7,12-13H2/t16-,18+/m1/s1.
What are the key properties of (3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one?
(3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one has a molecular weight of 298.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(4-fluorophenyl)-4-(2-phenylethyl)oxan-2-one is sourced from PubChem (CID 134918332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).