(2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane

C11H12BrClO2 — CID 58572701

IUPAC(2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane
SMILESC[C@@H](OC[C@H]1CO1)c1cccc(Cl)c1Br
InChIInChI=1S/C11H12BrClO2/c1-7(14-5-8-6-15-8)9-3-2-4-10(13)11(9)12/h2-4,7-8H,5-6H2,1H3/t7-,8+/m1/s1
InChIKeyJOLGJFJYLNLZHZ-SFYZADRCSA-N
MW291.57 g/mol
LogP3.58
Rot. Bonds4

About (2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane

(2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane (PubChem CID 58572701) has the molecular formula C11H12BrClO2 and a molecular weight of 291.57 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane
PubChem CID58572701
Molecular FormulaC11H12BrClO2
Molecular Weight291.57 g/mol
Exact Mass289.97
IUPAC Name(2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane
SMILESC[C@@H](OC[C@H]1CO1)c1cccc(Cl)c1Br
InChIInChI=1S/C11H12BrClO2/c1-7(14-5-8-6-15-8)9-3-2-4-10(13)11(9)12/h2-4,7-8H,5-6H2,1H3/t7-,8+/m1/s1
InChIKeyJOLGJFJYLNLZHZ-SFYZADRCSA-N
XLogP3.58
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 53.58
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

(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane
CID 97180205
(2R)-2-[[(1R)-1-[2-bromo-3-(difluoromethoxy)phenyl]ethoxy]methyl]oxirane
CID 58572534
(2R)-2-[[(1R)-1-(2-bromo-3-fluoro-4-methylphenyl)ethoxy]methyl]oxirane
CID 58572447
2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol
CID 89046389
2-[1-(2-methoxyphenyl)ethoxymethyl]oxirane
CID 22382426
(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane
CID 97180222
(2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane
CID 58662610
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane
CID 2507807
2-[[(1R)-1-(2-bromo-3-methylphenyl)butoxy]methyl]oxirane
CID 58572474
(2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane
CID 89232851
ethyl (E)-3-[2-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenyl]prop-2-enoate
CID 58572657
2-[[(1R)-1-(2-bromo-3-methoxyphenyl)butoxy]methyl]oxirane
CID 58572465

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane?
The IUPAC name of (2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane (CID 58572701) is (2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane?
The canonical SMILES for (2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane is C[C@@H](OC[C@H]1CO1)c1cccc(Cl)c1Br.
What is the InChIKey of (2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane?
The InChIKey is JOLGJFJYLNLZHZ-SFYZADRCSA-N. The full InChI is InChI=1S/C11H12BrClO2/c1-7(14-5-8-6-15-8)9-3-2-4-10(13)11(9)12/h2-4,7-8H,5-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane?
(2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane has a molecular weight of 291.57 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane is sourced from PubChem (CID 58572701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).