(2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane

C13H16O2 — CID 15473511

IUPAC(2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane
SMILESCOc1ccc([C@H]2O[C@@H]2C=C(C)C)cc1
InChIInChI=1S/C13H16O2/c1-9(2)8-12-13(15-12)10-4-6-11(14-3)7-5-10/h4-8,12-13H,1-3H3/t12-,13-/m1/s1
InChIKeyRODZMWIOQKAHEY-CHWSQXEVSA-N
MW204.27 g/mol
LogP3.10
Rot. Bonds3

About (2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane

(2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane (PubChem CID 15473511) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane.

Molecular Properties

Compound Name(2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane
PubChem CID15473511
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane
SMILESCOc1ccc([C@H]2O[C@@H]2C=C(C)C)cc1
InChIInChI=1S/C13H16O2/c1-9(2)8-12-13(15-12)10-4-6-11(14-3)7-5-10/h4-8,12-13H,1-3H3/t12-,13-/m1/s1
InChIKeyRODZMWIOQKAHEY-CHWSQXEVSA-N
XLogP3.10
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol
CID 102589589
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
potassium (2R,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 139621521
potassium (2S,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 23702120
(2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide
CID 57212777
(2S,3R)-2-ethynyl-3-(4-methoxyphenyl)oxirane
CID 135891777
(2R,4R,5R)-5-hydroxy-2-(4-methoxyphenyl)-1,3-dioxane-4-carbaldehyde
CID 132574699
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
(2R,4R,5S,6R)-4-(4-methoxyphenyl)-2,5,6-trimethyl-1,3-dioxane
CID 13085354
tert-butyl (2S,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 15315317
tert-butyl (2R,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 135529667

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane?
The IUPAC name of (2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane (CID 15473511) is (2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane.
What is the SMILES notation for (2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane?
The canonical SMILES for (2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane is COc1ccc([C@H]2O[C@@H]2C=C(C)C)cc1.
What is the InChIKey of (2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane?
The InChIKey is RODZMWIOQKAHEY-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H16O2/c1-9(2)8-12-13(15-12)10-4-6-11(14-3)7-5-10/h4-8,12-13H,1-3H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane?
(2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane has a molecular weight of 204.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane is sourced from PubChem (CID 15473511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).