(2S)-2-(2-chlorophenyl)oxirane

C8H7ClO — CID 12561900

IUPAC(2S)-2-(2-chlorophenyl)oxirane
SMILESClc1ccccc1[C@H]1CO1
InChIInChI=1S/C8H7ClO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1
InChIKeyRTPJBMWUVSTBPC-MRVPVSSYSA-N
MW154.60 g/mol
LogP2.41
Rot. Bonds1

About (2S)-2-(2-chlorophenyl)oxirane

(2S)-2-(2-chlorophenyl)oxirane (PubChem CID 12561900) has the molecular formula C8H7ClO and a molecular weight of 154.60 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)oxirane
PubChem CID12561900
Molecular FormulaC8H7ClO
Molecular Weight154.60 g/mol
Exact Mass154.02
IUPAC Name(2S)-2-(2-chlorophenyl)oxirane
SMILESClc1ccccc1[C@H]1CO1
InChIInChI=1S/C8H7ClO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1
InChIKeyRTPJBMWUVSTBPC-MRVPVSSYSA-N
XLogP2.41
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)oxirane?
The IUPAC name of (2S)-2-(2-chlorophenyl)oxirane (CID 12561900) is (2S)-2-(2-chlorophenyl)oxirane.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)oxirane?
The canonical SMILES for (2S)-2-(2-chlorophenyl)oxirane is Clc1ccccc1[C@H]1CO1.
What is the InChIKey of (2S)-2-(2-chlorophenyl)oxirane?
The InChIKey is RTPJBMWUVSTBPC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H7ClO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)oxirane?
(2S)-2-(2-chlorophenyl)oxirane has a molecular weight of 154.60 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)oxirane is sourced from PubChem (CID 12561900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).