(2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol

C19H22O3S — CID 10860500

IUPAC(2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol
SMILESO[C@@H](COCc1ccccc1)C[C@@H]1O[C@H]1CSc1ccccc1
InChIInChI=1S/C19H22O3S/c20-16(13-21-12-15-7-3-1-4-8-15)11-18-19(22-18)14-23-17-9-5-2-6-10-17/h1-10,16,18-20H,11-14H2/t16-,18+,19+/m1/s1
InChIKeyFSMWWKOBFUYHSE-NEWSRXKRSA-N
MW330.45 g/mol
LogP3.51
Rot. Bonds9

About (2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol

(2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol (PubChem CID 10860500) has the molecular formula C19H22O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is (2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol
PubChem CID10860500
Molecular FormulaC19H22O3S
Molecular Weight330.45 g/mol
Exact Mass330.13
IUPAC Name(2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol
SMILESO[C@@H](COCc1ccccc1)C[C@@H]1O[C@H]1CSc1ccccc1
InChIInChI=1S/C19H22O3S/c20-16(13-21-12-15-7-3-1-4-8-15)11-18-19(22-18)14-23-17-9-5-2-6-10-17/h1-10,16,18-20H,11-14H2/t16-,18+,19+/m1/s1
InChIKeyFSMWWKOBFUYHSE-NEWSRXKRSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 151451613
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CID 11130512
CID 172760983
CID 172760983
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
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(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-benzylsulfanyl-3-phenylmethoxypropan-2-ol
CID 14948166
1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278
(2R)-1-[(2R,3R,4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,5-dimethyloxan-2-yl]-3-phenylmethoxypropan-2-ol
CID 11453443
(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropan-2-ol
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(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol (CID 10860500) is (2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol is O[C@@H](COCc1ccccc1)C[C@@H]1O[C@H]1CSc1ccccc1.
What is the InChIKey of (2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol?
The InChIKey is FSMWWKOBFUYHSE-NEWSRXKRSA-N. The full InChI is InChI=1S/C19H22O3S/c20-16(13-21-12-15-7-3-1-4-8-15)11-18-19(22-18)14-23-17-9-5-2-6-10-17/h1-10,16,18-20H,11-14H2/t16-,18+,19+/m1/s1.
What are the key properties of (2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol?
(2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol has a molecular weight of 330.45 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol is sourced from PubChem (CID 10860500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).