(R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol

C9H9BrO2 — CID 135058699

IUPAC(R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol
SMILESO[C@H](c1cccc(Br)c1)[C@H]1CO1
InChIInChI=1S/C9H9BrO2/c10-7-3-1-2-6(4-7)9(11)8-5-12-8/h1-4,8-9,11H,5H2/t8-,9-/m1/s1
InChIKeyKMDNYHBACVVPHW-RKDXNWHRSA-N
MW229.07 g/mol
LogP1.88
Rot. Bonds2

About (R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol

(R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol (PubChem CID 135058699) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is (R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol.

Molecular Properties

Compound Name(R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol
PubChem CID135058699
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name(R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol
SMILESO[C@H](c1cccc(Br)c1)[C@H]1CO1
InChIInChI=1S/C9H9BrO2/c10-7-3-1-2-6(4-7)9(11)8-5-12-8/h1-4,8-9,11H,5H2/t8-,9-/m1/s1
InChIKeyKMDNYHBACVVPHW-RKDXNWHRSA-N
XLogP1.88
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of (R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol?
The IUPAC name of (R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol (CID 135058699) is (R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol.
What is the SMILES notation for (R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol?
The canonical SMILES for (R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol is O[C@H](c1cccc(Br)c1)[C@H]1CO1.
What is the InChIKey of (R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol?
The InChIKey is KMDNYHBACVVPHW-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-7-3-1-2-6(4-7)9(11)8-5-12-8/h1-4,8-9,11H,5H2/t8-,9-/m1/s1.
What are the key properties of (R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol?
(R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol has a molecular weight of 229.07 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-bromophenyl)-[(2R)-oxiran-2-yl]methanol is sourced from PubChem (CID 135058699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).