(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane

C11H13ClO2 — CID 2507807

IUPAC(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane
SMILESC[C@H](OC[C@@H]1CO1)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-8(13-6-11-7-14-11)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7H2,1H3/t8-,11+/m0/s1
InChIKeyJGGQRANUJHVHLH-GZMMTYOYSA-N
MW212.68 g/mol
LogP2.82
Rot. Bonds4

About (2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane

(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane (PubChem CID 2507807) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane
PubChem CID2507807
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane
SMILESC[C@H](OC[C@@H]1CO1)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-8(13-6-11-7-14-11)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7H2,1H3/t8-,11+/m0/s1
InChIKeyJGGQRANUJHVHLH-GZMMTYOYSA-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

(2S)-2-[[(1R)-1-(4-methylphenyl)ethoxy]methyl]oxirane
CID 97180239
(2S)-2-[[(1R)-1-(4-tert-butylphenyl)ethoxy]methyl]oxirane
CID 97180279
2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 102548141
(2R)-2-[[(1S)-1-(3,4-dimethoxyphenyl)ethoxy]methyl]oxirane
CID 97180237
2-[1-(3,4-dimethoxyphenyl)ethoxymethyl]oxirane
CID 102548273
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane
CID 97180205
2-[1-(4-propan-2-ylphenoxy)butan-2-yloxymethyl]oxirane
CID 156746922
(2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane
CID 58572556
(2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane
CID 58572701
2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol
CID 89046389
2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
CID 22359743
ethyl 3-[5-chloro-2-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenyl]propanoate
CID 58572374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane?
The IUPAC name of (2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane (CID 2507807) is (2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane.
What is the SMILES notation for (2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane?
The canonical SMILES for (2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane is C[C@H](OC[C@@H]1CO1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane?
The InChIKey is JGGQRANUJHVHLH-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(13-6-11-7-14-11)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7H2,1H3/t8-,11+/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane?
(2S)-2-[[(1S)-1-(4-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-(4-chlorophenyl)ethoxy]methyl]oxirane is sourced from PubChem (CID 2507807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).