(2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane

C16H15BrO2 — CID 135762701

IUPAC(2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane
SMILESBrc1ccc([C@H]2O[C@H]2COCc2ccccc2)cc1
InChIInChI=1S/C16H15BrO2/c17-14-8-6-13(7-9-14)16-15(19-16)11-18-10-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16+/m0/s1
InChIKeyGCVYZVOXQRWFIK-JKSUJKDBSA-N
MW319.20 g/mol
LogP4.11
Rot. Bonds5

About (2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane

(2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane (PubChem CID 135762701) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is (2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane.

Molecular Properties

Compound Name(2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane
PubChem CID135762701
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name(2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane
SMILESBrc1ccc([C@H]2O[C@H]2COCc2ccccc2)cc1
InChIInChI=1S/C16H15BrO2/c17-14-8-6-13(7-9-14)16-15(19-16)11-18-10-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16+/m0/s1
InChIKeyGCVYZVOXQRWFIK-JKSUJKDBSA-N
XLogP4.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,6R)-6-(4-bromophenyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one
CID 146166603
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
CID 10994244
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine
CID 171557955
[4-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methanol
CID 23572743
2-phenyl-3-(3-phenylmethoxypropyl)oxirane
CID 13389573
(2R,4R,5R)-2-[(4-bromophenyl)sulfonylmethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 70994926
trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
(3R,4R,5R,6R)-6-[(4-bromophenyl)methoxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 70039715

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane?
The IUPAC name of (2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane (CID 135762701) is (2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane.
What is the SMILES notation for (2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane?
The canonical SMILES for (2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane is Brc1ccc([C@H]2O[C@H]2COCc2ccccc2)cc1.
What is the InChIKey of (2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane?
The InChIKey is GCVYZVOXQRWFIK-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H15BrO2/c17-14-8-6-13(7-9-14)16-15(19-16)11-18-10-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16+/m0/s1.
What are the key properties of (2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane?
(2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane has a molecular weight of 319.20 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane is sourced from PubChem (CID 135762701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).