(2S)-2-(4-chlorophenyl)-3-ethenyloxirane

C10H9ClO — CID 101260589

IUPAC(2S)-2-(4-chlorophenyl)-3-ethenyloxirane
SMILESC=CC1O[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO/c1-2-9-10(12-9)7-3-5-8(11)6-4-7/h2-6,9-10H,1H2/t9?,10-/m0/s1
InChIKeyNJXJXFDVHPWEFA-AXDSSHIGSA-N
MW180.63 g/mol
LogP2.97
Rot. Bonds2

About (2S)-2-(4-chlorophenyl)-3-ethenyloxirane

(2S)-2-(4-chlorophenyl)-3-ethenyloxirane (PubChem CID 101260589) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-ethenyloxirane.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-ethenyloxirane
PubChem CID101260589
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name(2S)-2-(4-chlorophenyl)-3-ethenyloxirane
SMILESC=CC1O[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO/c1-2-9-10(12-9)7-3-5-8(11)6-4-7/h2-6,9-10H,1H2/t9?,10-/m0/s1
InChIKeyNJXJXFDVHPWEFA-AXDSSHIGSA-N
XLogP2.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane
CID 15879825
3-[(2R,3S)-3-ethenyloxiran-2-yl]pyridine
CID 93493915
2-(4-chlorophenyl)-3-propyloxirane
CID 85290770
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one
CID 118622892
3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane
CID 57380797
5-but-3-enyl-2-(4-chlorophenyl)-1,3-dioxane
CID 18652891
2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine
CID 93493906
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
2-(3-ethenyloxiran-2-yl)aniline
CID 139629004
(2R,3R,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethyloxan-4-ol
CID 139065834
1-[(2R,3S)-3-(4-chlorophenyl)oxiran-2-yl]ethanone
CID 101197056

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-ethenyloxirane?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-ethenyloxirane (CID 101260589) is (2S)-2-(4-chlorophenyl)-3-ethenyloxirane.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-ethenyloxirane?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-ethenyloxirane is C=CC1O[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-ethenyloxirane?
The InChIKey is NJXJXFDVHPWEFA-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H9ClO/c1-2-9-10(12-9)7-3-5-8(11)6-4-7/h2-6,9-10H,1H2/t9?,10-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-ethenyloxirane?
(2S)-2-(4-chlorophenyl)-3-ethenyloxirane has a molecular weight of 180.63 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-ethenyloxirane is sourced from PubChem (CID 101260589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).