(2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane

C10H12O2 — CID 10080713

IUPAC(2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane
SMILESCOc1ccc([C@@H]2O[C@H]2C)cc1
InChIInChI=1S/C10H12O2/c1-7-10(12-7)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3/t7-,10+/m0/s1
InChIKeyYUWWNQUBHDXKMT-OIBJUYFYSA-N
MW164.20 g/mol
LogP2.15
Rot. Bonds2

About (2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane

(2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane (PubChem CID 10080713) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane.

Molecular Properties

Compound Name(2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane
PubChem CID10080713
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane
SMILESCOc1ccc([C@@H]2O[C@H]2C)cc1
InChIInChI=1S/C10H12O2/c1-7-10(12-7)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3/t7-,10+/m0/s1
InChIKeyYUWWNQUBHDXKMT-OIBJUYFYSA-N
XLogP2.15
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane?
The IUPAC name of (2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane (CID 10080713) is (2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane.
What is the SMILES notation for (2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane?
The canonical SMILES for (2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane is COc1ccc([C@@H]2O[C@H]2C)cc1.
What is the InChIKey of (2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane?
The InChIKey is YUWWNQUBHDXKMT-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-10(12-7)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3/t7-,10+/m0/s1.
What are the key properties of (2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane?
(2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane has a molecular weight of 164.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-methoxyphenyl)-3-methyloxirane is sourced from PubChem (CID 10080713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).