(1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol

C12H15BrO3 — CID 10869903

IUPAC(1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol
SMILESC[C@@H](O)[C@@H]1O[C@@H]1COCc1ccc(Br)cc1
InChIInChI=1S/C12H15BrO3/c1-8(14)12-11(16-12)7-15-6-9-2-4-10(13)5-3-9/h2-5,8,11-12,14H,6-7H2,1H3/t8-,11-,12+/m1/s1
InChIKeyWPTXDDBIQZOIBR-FXAINCCUSA-N
MW287.15 g/mol
LogP2.11
Rot. Bonds5

About (1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol

(1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol (PubChem CID 10869903) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is (1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol
PubChem CID10869903
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name(1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol
SMILESC[C@@H](O)[C@@H]1O[C@@H]1COCc1ccc(Br)cc1
InChIInChI=1S/C12H15BrO3/c1-8(14)12-11(16-12)7-15-6-9-2-4-10(13)5-3-9/h2-5,8,11-12,14H,6-7H2,1H3/t8-,11-,12+/m1/s1
InChIKeyWPTXDDBIQZOIBR-FXAINCCUSA-N
XLogP2.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
(1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol
CID 11149422
1-[(2R,3S)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]-N-[(1S)-1-phenylethyl]methanimine
CID 11046989
(2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane
CID 135762701
1-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propane-1,2-diol
CID 155768067
(3R,4R,5R,6R)-6-[(4-bromophenyl)methoxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 70039715
(2R,3R,4R,5S,6R)-2-(1-hydroxy-2-methylpropyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 10874840
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]propanoic acid
CID 105345020
tert-butyl N-[2-methyl-1-[(2R,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]propyl]carbamate
CID 135049682
[(2S,3R)-2-[(4-bromophenyl)methoxymethyl]-5-methoxyoxolan-3-yl]methyl benzoate
CID 14840714
(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
CID 141348712
methyl 2-[(4-bromophenyl)methoxymethyl]-3-methylcyclopropane-1-carboxylate
CID 139988330

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol (CID 10869903) is (1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol is C[C@@H](O)[C@@H]1O[C@@H]1COCc1ccc(Br)cc1.
What is the InChIKey of (1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol?
The InChIKey is WPTXDDBIQZOIBR-FXAINCCUSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-8(14)12-11(16-12)7-15-6-9-2-4-10(13)5-3-9/h2-5,8,11-12,14H,6-7H2,1H3/t8-,11-,12+/m1/s1.
What are the key properties of (1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol?
(1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol has a molecular weight of 287.15 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol is sourced from PubChem (CID 10869903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).