(1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol

C17H17BrO2 — CID 165413358

IUPAC(1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol
SMILESO[C@H](CCc1ccc(Br)cc1)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C17H17BrO2/c18-14-9-6-12(7-10-14)8-11-15(19)17-16(20-17)13-4-2-1-3-5-13/h1-7,9-10,15-17,19H,8,11H2/t15-,16-,17-/m1/s1
InChIKeyNNVXOFRNRRIXIA-BRWVUGGUSA-N
MW333.23 g/mol
LogP3.88
Rot. Bonds5

About (1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol

(1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol (PubChem CID 165413358) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is (1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol
PubChem CID165413358
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name(1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol
SMILESO[C@H](CCc1ccc(Br)cc1)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C17H17BrO2/c18-14-9-6-12(7-10-14)8-11-15(19)17-16(20-17)13-4-2-1-3-5-13/h1-7,9-10,15-17,19H,8,11H2/t15-,16-,17-/m1/s1
InChIKeyNNVXOFRNRRIXIA-BRWVUGGUSA-N
XLogP3.88
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenyloxiran-2-yl)pentan-1-ol
CID 12642701
[(2S,3R)-3-phenyloxiran-2-yl]methanediol
CID 15197389
1-bromo-4-(3-bromo-3-phenylpropyl)benzene
CID 63471599
(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol
CID 46863006
(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol
CID 10989251
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol
CID 176586515
2-bromo-4-(4-bromophenyl)butanoic acid
CID 84604623
(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
CID 10631104
1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene
CID 144705037
benzhydryl 4-(4-bromophenyl)-2-hydroxybutanoate
CID 129250544
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol?
The IUPAC name of (1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol (CID 165413358) is (1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol.
What is the SMILES notation for (1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol?
The canonical SMILES for (1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol is O[C@H](CCc1ccc(Br)cc1)[C@H]1O[C@@H]1c1ccccc1.
What is the InChIKey of (1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol?
The InChIKey is NNVXOFRNRRIXIA-BRWVUGGUSA-N. The full InChI is InChI=1S/C17H17BrO2/c18-14-9-6-12(7-10-14)8-11-15(19)17-16(20-17)13-4-2-1-3-5-13/h1-7,9-10,15-17,19H,8,11H2/t15-,16-,17-/m1/s1.
What are the key properties of (1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol?
(1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol has a molecular weight of 333.23 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol is sourced from PubChem (CID 165413358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).