(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane

C11H12O2 — CID 24806595

IUPAC(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane
SMILESCOc1ccccc1/C=C/[C@@H]1CO1
InChIInChI=1S/C11H12O2/c1-12-11-5-3-2-4-9(11)6-7-10-8-13-10/h2-7,10H,8H2,1H3/b7-6+/t10-/m1/s1
InChIKeyHHPICLSJZPGGGZ-VQCYPWCPSA-N
MW176.22 g/mol
LogP2.11
Rot. Bonds3

About (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane

(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane (PubChem CID 24806595) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane
PubChem CID24806595
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane
SMILESCOc1ccccc1/C=C/[C@@H]1CO1
InChIInChI=1S/C11H12O2/c1-12-11-5-3-2-4-9(11)6-7-10-8-13-10/h2-7,10H,8H2,1H3/b7-6+/t10-/m1/s1
InChIKeyHHPICLSJZPGGGZ-VQCYPWCPSA-N
XLogP2.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.11
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

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2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane
CID 11819867
(3E)-3-[(2-methoxyphenyl)methylidene]oxolane
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1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene
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1-(3,3-dichloroprop-1-enyl)-2-methoxybenzene
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CID 10709219

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane?
The IUPAC name of (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane (CID 24806595) is (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane.
What is the SMILES notation for (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane?
The canonical SMILES for (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane is COc1ccccc1/C=C/[C@@H]1CO1.
What is the InChIKey of (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane?
The InChIKey is HHPICLSJZPGGGZ-VQCYPWCPSA-N. The full InChI is InChI=1S/C11H12O2/c1-12-11-5-3-2-4-9(11)6-7-10-8-13-10/h2-7,10H,8H2,1H3/b7-6+/t10-/m1/s1.
What are the key properties of (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane?
(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane has a molecular weight of 176.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane is sourced from PubChem (CID 24806595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).