(1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol

C11H14O3 — CID 132578778

IUPAC(1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol
SMILESO[C@@H](c1ccccc1)[C@@H](O)C1COC1
InChIInChI=1S/C11H14O3/c12-10(8-4-2-1-3-5-8)11(13)9-6-14-7-9/h1-5,9-13H,6-7H2/t10-,11-/m0/s1
InChIKeyMIXGQQKBHCXNCM-QWRGUYRKSA-N
MW194.23 g/mol
LogP0.73
Rot. Bonds3

About (1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol

(1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol (PubChem CID 132578778) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol
PubChem CID132578778
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol
SMILESO[C@@H](c1ccccc1)[C@@H](O)C1COC1
InChIInChI=1S/C11H14O3/c12-10(8-4-2-1-3-5-8)11(13)9-6-14-7-9/h1-5,9-13H,6-7H2/t10-,11-/m0/s1
InChIKeyMIXGQQKBHCXNCM-QWRGUYRKSA-N
XLogP0.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
oxetan-3-yl(phenyl)methanamine
CID 155387593
1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459354
1,2-diphenylethane-1,2-diol
CID 159073808
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-phenylethane-1,2-diol
CID 103459513
1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol
CID 103456996
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
benzene;2-phenylethane-1,1,2-triol
CID 174439943
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
1,2,3-triphenylpropane-1,3-diol
CID 59738959
(1S)-1,2,2-triphenylethanol
CID 38988933
(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
CID 134931219

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol?
The IUPAC name of (1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol (CID 132578778) is (1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol.
What is the SMILES notation for (1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol?
The canonical SMILES for (1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol is O[C@@H](c1ccccc1)[C@@H](O)C1COC1.
What is the InChIKey of (1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol?
The InChIKey is MIXGQQKBHCXNCM-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14O3/c12-10(8-4-2-1-3-5-8)11(13)9-6-14-7-9/h1-5,9-13H,6-7H2/t10-,11-/m0/s1.
What are the key properties of (1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol?
(1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol has a molecular weight of 194.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol is sourced from PubChem (CID 132578778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).