(1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol

C10H11ClO2 — CID 132937968

IUPAC(1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol
SMILESC[C@@H](O)[C@@H]1O[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C10H11ClO2/c1-6(12)9-10(13-9)7-3-2-4-8(11)5-7/h2-6,9-10,12H,1H3/t6-,9+,10+/m1/s1
InChIKeyGSICLTCWJYKTJR-UASFKTIASA-N
MW198.65 g/mol
LogP2.16
Rot. Bonds2

About (1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol

(1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol (PubChem CID 132937968) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is (1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol
PubChem CID132937968
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name(1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol
SMILESC[C@@H](O)[C@@H]1O[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C10H11ClO2/c1-6(12)9-10(13-9)7-3-2-4-8(11)5-7/h2-6,9-10,12H,1H3/t6-,9+,10+/m1/s1
InChIKeyGSICLTCWJYKTJR-UASFKTIASA-N
XLogP2.16
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol (CID 132937968) is (1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol is C[C@@H](O)[C@@H]1O[C@H]1c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol?
The InChIKey is GSICLTCWJYKTJR-UASFKTIASA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6(12)9-10(13-9)7-3-2-4-8(11)5-7/h2-6,9-10,12H,1H3/t6-,9+,10+/m1/s1.
What are the key properties of (1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol?
(1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol has a molecular weight of 198.65 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol is sourced from PubChem (CID 132937968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).