2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone

C19H20O3 — CID 138975662

IUPAC2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone
SMILESO=C(CC1C[C@@H](O)C[C@@H](c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C19H20O3/c20-16-11-17(13-18(21)14-7-3-1-4-8-14)22-19(12-16)15-9-5-2-6-10-15/h1-10,16-17,19-20H,11-13H2/t16-,17?,19+/m1/s1
InChIKeyHQTSVUPKAYCDEB-HHBDYARMSA-N
MW296.37 g/mol
LogP3.54
Rot. Bonds4

About 2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone

2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone (PubChem CID 138975662) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone
PubChem CID138975662
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone
SMILESO=C(CC1C[C@@H](O)C[C@@H](c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C19H20O3/c20-16-11-17(13-18(21)14-7-3-1-4-8-14)22-19(12-16)15-9-5-2-6-10-15/h1-10,16-17,19-20H,11-13H2/t16-,17?,19+/m1/s1
InChIKeyHQTSVUPKAYCDEB-HHBDYARMSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[(2R,6S)-6-phenyloxan-2-yl]ethanone
CID 132849136
1-phenyl-2-(6-phenyloxan-2-yl)ethanone
CID 102133371
ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate
CID 101247662
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
[(2R,4S,6S)-4-chloro-6-phenyloxan-2-yl]methyl benzoate
CID 102148599
4-phenyloxetane-2-carboxylic acid
CID 20744932
2-(2-bromocyclopropyl)-1-phenylethanone
CID 174508043
(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
CID 101086395
2-(4-hydroxyoxolan-3-yl)-1-phenylethanone
CID 130502882
[(4S,6S)-4-hydroxy-6-phenyloxan-2-yl] acetate
CID 134833790
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112
2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone
CID 143798313

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone?
The IUPAC name of 2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone (CID 138975662) is 2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone is O=C(CC1C[C@@H](O)C[C@@H](c2ccccc2)O1)c1ccccc1.
What is the InChIKey of 2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone?
The InChIKey is HQTSVUPKAYCDEB-HHBDYARMSA-N. The full InChI is InChI=1S/C19H20O3/c20-16-11-17(13-18(21)14-7-3-1-4-8-14)22-19(12-16)15-9-5-2-6-10-15/h1-10,16-17,19-20H,11-13H2/t16-,17?,19+/m1/s1.
What are the key properties of 2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone?
2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone has a molecular weight of 296.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone is sourced from PubChem (CID 138975662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).