(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane

C9H9ClO — CID 30122314

IUPAC(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
SMILESC[C@@H]1O[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C9H9ClO/c1-6-9(11-6)7-3-2-4-8(10)5-7/h2-6,9H,1H3/t6-,9-/m0/s1
InChIKeyGXEJBHVLGLPIFE-RCOVLWMOSA-N
MW168.62 g/mol
LogP2.80
Rot. Bonds1

About (2R,3S)-2-(3-chlorophenyl)-3-methyloxirane

(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane (PubChem CID 30122314) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is (2R,3S)-2-(3-chlorophenyl)-3-methyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
PubChem CID30122314
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
SMILESC[C@@H]1O[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C9H9ClO/c1-6-9(11-6)7-3-2-4-8(10)5-7/h2-6,9H,1H3/t6-,9-/m0/s1
InChIKeyGXEJBHVLGLPIFE-RCOVLWMOSA-N
XLogP2.80
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Styrene Oxide
CID 7276
(S)-styrene oxide
CID 114946
Tridiphane
CID 73669
(+)-Styrene oxide
CID 114705
Benzene, (1-ethoxyethyl)-
CID 18693
4-Chlorostyrene oxide
CID 197010
2-(3-Chlorophenyl)oxirane
CID 155613
(1R)-1-(3-chlorophenyl)propan-1-ol
CID 10920958
3-Chloro-alpha-ethylbenzenemethanol
CID 11147981
(1S,2S)-(-)-1-Phenylpropylene oxide
CID 119448
(3-Chloro-1-methoxypropyl)benzene
CID 97992
Trans-phenylpropylene oxide
CID 123339

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(3-chlorophenyl)-3-methyloxirane?
The IUPAC name of (2R,3S)-2-(3-chlorophenyl)-3-methyloxirane (CID 30122314) is (2R,3S)-2-(3-chlorophenyl)-3-methyloxirane.
What is the SMILES notation for (2R,3S)-2-(3-chlorophenyl)-3-methyloxirane?
The canonical SMILES for (2R,3S)-2-(3-chlorophenyl)-3-methyloxirane is C[C@@H]1O[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (2R,3S)-2-(3-chlorophenyl)-3-methyloxirane?
The InChIKey is GXEJBHVLGLPIFE-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H9ClO/c1-6-9(11-6)7-3-2-4-8(10)5-7/h2-6,9H,1H3/t6-,9-/m0/s1.
What are the key properties of (2R,3S)-2-(3-chlorophenyl)-3-methyloxirane?
(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane has a molecular weight of 168.62 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(3-chlorophenyl)-3-methyloxirane is sourced from PubChem (CID 30122314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).