bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol

C21H24O5 — CID 102597561

IUPACbis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
SMILESOC([C@H]1O[C@@H]1COCc1ccccc1)[C@H]1O[C@@H]1COCc1ccccc1
InChIInChI=1S/C21H24O5/c22-19(20-17(25-20)13-23-11-15-7-3-1-4-8-15)21-18(26-21)14-24-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-,20+,21+/m1/s1
InChIKeyPWZFUPSEIWTOFC-QCFAMHMHSA-N
MW356.42 g/mol
LogP2.32
Rot. Bonds10

About bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol

bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol (PubChem CID 102597561) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Namebis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
PubChem CID102597561
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Namebis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
SMILESOC([C@H]1O[C@@H]1COCc1ccccc1)[C@H]1O[C@@H]1COCc1ccccc1
InChIInChI=1S/C21H24O5/c22-19(20-17(25-20)13-23-11-15-7-3-1-4-8-15)21-18(26-21)14-24-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-,20+,21+/m1/s1
InChIKeyPWZFUPSEIWTOFC-QCFAMHMHSA-N
XLogP2.32
TPSA63.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propane-1,2-diol
CID 155768067
(S)-phenyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 10908343
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3R,4R,5S,6R)-2-(1-hydroxy-2-methylpropyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 10874840
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
(1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol
CID 10869903
trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511
(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbothioamide
CID 146019195
3-(phenylmethoxymethyl)oxirane-2-carboxamide
CID 10130485
(R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol
CID 102281687
tert-butyl N-[2-methyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]propyl]carbamate
CID 135049682

Frequently Asked Questions

What is the IUPAC name of bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol?
The IUPAC name of bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol (CID 102597561) is bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol.
What is the SMILES notation for bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol?
The canonical SMILES for bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol is OC([C@H]1O[C@@H]1COCc1ccccc1)[C@H]1O[C@@H]1COCc1ccccc1.
What is the InChIKey of bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol?
The InChIKey is PWZFUPSEIWTOFC-QCFAMHMHSA-N. The full InChI is InChI=1S/C21H24O5/c22-19(20-17(25-20)13-23-11-15-7-3-1-4-8-15)21-18(26-21)14-24-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-,20+,21+/m1/s1.
What are the key properties of bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol?
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol has a molecular weight of 356.42 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol is sourced from PubChem (CID 102597561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).