(2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane

C10H11ClO2 — CID 129394098

IUPAC(2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane
SMILESC[C@H](Oc1ccccc1Cl)[C@H]1CO1
InChIInChI=1S/C10H11ClO2/c1-7(10-6-12-10)13-9-5-3-2-4-8(9)11/h2-5,7,10H,6H2,1H3/t7-,10+/m0/s1
InChIKeyVNKMVQTZPCWYNB-OIBJUYFYSA-N
MW198.65 g/mol
LogP2.51
Rot. Bonds3

About (2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane

(2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane (PubChem CID 129394098) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is (2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane
PubChem CID129394098
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name(2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane
SMILESC[C@H](Oc1ccccc1Cl)[C@H]1CO1
InChIInChI=1S/C10H11ClO2/c1-7(10-6-12-10)13-9-5-3-2-4-8(9)11/h2-5,7,10H,6H2,1H3/t7-,10+/m0/s1
InChIKeyVNKMVQTZPCWYNB-OIBJUYFYSA-N
XLogP2.51
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.51
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

2-[1-(2-methoxyphenoxy)ethyl]oxirane
CID 22064084
2-[1-[(2S)-oxiran-2-yl]ethoxy]benzonitrile
CID 86640575
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
1-(2-chlorophenoxy)ethanethiol
CID 147588927
2-[1-(4-methoxyphenoxy)ethyl]oxirane
CID 20661059
3-(2-chlorophenoxy)butan-1-ol
CID 82076432
1-(2-chlorophenoxy)-1-(2-chlorophenyl)propan-2-amine
CID 55022474
(2-chlorophenyl) oxirane-2-carboxylate
CID 87937110
1-(1-bromopropoxy)-2-chlorobenzene
CID 67903690
(2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide
CID 97252685
1-chloro-2-methoxybenzene
CID 13011
3-[(1R)-1-(2-chlorophenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 27460639

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane?
The IUPAC name of (2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane (CID 129394098) is (2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane.
What is the SMILES notation for (2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane?
The canonical SMILES for (2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane is C[C@H](Oc1ccccc1Cl)[C@H]1CO1.
What is the InChIKey of (2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane?
The InChIKey is VNKMVQTZPCWYNB-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7(10-6-12-10)13-9-5-3-2-4-8(9)11/h2-5,7,10H,6H2,1H3/t7-,10+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane?
(2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane has a molecular weight of 198.65 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1-(2-chlorophenoxy)ethyl]oxirane is sourced from PubChem (CID 129394098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).