(2R,4S)-2-benzhydryloxan-4-ol

C18H20O2 — CID 11565243

IUPAC(2R,4S)-2-benzhydryloxan-4-ol
SMILESO[C@H]1CCO[C@@H](C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H20O2/c19-16-11-12-20-17(13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+/m0/s1
InChIKeyZXDWYKSKJGVAFU-DLBZAZTESA-N
MW268.36 g/mol
LogP3.36
Rot. Bonds3

About (2R,4S)-2-benzhydryloxan-4-ol

(2R,4S)-2-benzhydryloxan-4-ol (PubChem CID 11565243) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R,4S)-2-benzhydryloxan-4-ol.

Molecular Properties

Compound Name(2R,4S)-2-benzhydryloxan-4-ol
PubChem CID11565243
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(2R,4S)-2-benzhydryloxan-4-ol
SMILESO[C@H]1CCO[C@@H](C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H20O2/c19-16-11-12-20-17(13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+/m0/s1
InChIKeyZXDWYKSKJGVAFU-DLBZAZTESA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-phenyloxan-4-ol
CID 67658519
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
(2R,4S)-2-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-4-amine
CID 66631634
(3S,6S)-6-benzhydryloxan-3-amine
CID 11565229
1,4-dioxan-2-yl(phenyl)methanol
CID 62803674
(2R,4S)-4-phenyl-2-propan-2-yloxane
CID 118068345
(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
CID 118371657
2-[chloro(phenyl)methyl]oxolane
CID 11084790
3-(1-phenylethyl)oxolane
CID 150323599
3-(1-phenylethyl)dioxolane
CID 19709455
(2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol
CID 11303888
(2S)-2-(oxan-2-yl)-2-phenylethanol
CID 101229942

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-benzhydryloxan-4-ol?
The IUPAC name of (2R,4S)-2-benzhydryloxan-4-ol (CID 11565243) is (2R,4S)-2-benzhydryloxan-4-ol.
What is the SMILES notation for (2R,4S)-2-benzhydryloxan-4-ol?
The canonical SMILES for (2R,4S)-2-benzhydryloxan-4-ol is O[C@H]1CCO[C@@H](C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (2R,4S)-2-benzhydryloxan-4-ol?
The InChIKey is ZXDWYKSKJGVAFU-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20O2/c19-16-11-12-20-17(13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+/m0/s1.
What are the key properties of (2R,4S)-2-benzhydryloxan-4-ol?
(2R,4S)-2-benzhydryloxan-4-ol has a molecular weight of 268.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-benzhydryloxan-4-ol is sourced from PubChem (CID 11565243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).