(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane

C11H13ClO2 — CID 97180205

IUPAC(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane
SMILESC[C@H](OC[C@@H]1CO1)c1ccccc1Cl
InChIInChI=1S/C11H13ClO2/c1-8(13-6-9-7-14-9)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7H2,1H3/t8-,9+/m0/s1
InChIKeyVXMLTYLWVSYVCV-DTWKUNHWSA-N
MW212.68 g/mol
LogP2.82
Rot. Bonds4

About (2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane

(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane (PubChem CID 97180205) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane
PubChem CID97180205
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane
SMILESC[C@H](OC[C@@H]1CO1)c1ccccc1Cl
InChIInChI=1S/C11H13ClO2/c1-8(13-6-9-7-14-9)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7H2,1H3/t8-,9+/m0/s1
InChIKeyVXMLTYLWVSYVCV-DTWKUNHWSA-N
XLogP2.82
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.82
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

(2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane
CID 58572701
(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane
CID 97180222
(2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane
CID 58662610
2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol
CID 89046389
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane
CID 2507807
1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene
CID 15058794
(2R)-2-[[(1R)-1-[2-bromo-3-(difluoromethoxy)phenyl]ethoxy]methyl]oxirane
CID 58572534
ethyl (E)-3-[2-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenyl]prop-2-enoate
CID 58572657
2-(propan-2-yloxymethyl)oxirane
CID 159998967
(2S)-2-[[(1R)-1-(4-methylphenyl)ethoxy]methyl]oxirane
CID 97180239
1-chloro-2-[1-(3-chloropropoxy)ethyl]benzene
CID 67230352

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane?
The IUPAC name of (2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane (CID 97180205) is (2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane.
What is the SMILES notation for (2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane?
The canonical SMILES for (2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane is C[C@H](OC[C@@H]1CO1)c1ccccc1Cl.
What is the InChIKey of (2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane?
The InChIKey is VXMLTYLWVSYVCV-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(13-6-9-7-14-9)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane?
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane has a molecular weight of 212.68 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane is sourced from PubChem (CID 97180205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).