(2R)-2-(3-methoxyphenyl)oxirane

C9H10O2 — CID 22882163

IUPAC(2R)-2-(3-methoxyphenyl)oxirane
SMILESCOc1cccc([C@@H]2CO2)c1
InChIInChI=1S/C9H10O2/c1-10-8-4-2-3-7(5-8)9-6-11-9/h2-5,9H,6H2,1H3/t9-/m0/s1
InChIKeyIJUUWUSPXYGGKY-VIFPVBQESA-N
MW150.18 g/mol
LogP1.77
Rot. Bonds2

About (2R)-2-(3-methoxyphenyl)oxirane

(2R)-2-(3-methoxyphenyl)oxirane (PubChem CID 22882163) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(3-methoxyphenyl)oxirane
PubChem CID22882163
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(2R)-2-(3-methoxyphenyl)oxirane
SMILESCOc1cccc([C@@H]2CO2)c1
InChIInChI=1S/C9H10O2/c1-10-8-4-2-3-7(5-8)9-6-11-9/h2-5,9H,6H2,1H3/t9-/m0/s1
InChIKeyIJUUWUSPXYGGKY-VIFPVBQESA-N
XLogP1.77
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.77
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

(1R,4R,6S)-4-(3-methoxyphenyl)-3,7-dioxabicyclo[4.1.0]heptane
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5-(3-methoxyphenyl)-1,3-oxazolidine
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3-(3-methoxyphenyl)oxetane
CID 130113867
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane
CID 70895225
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
2-(3-methoxyphenyl)-2,3-dihydropyran-4-one
CID 11287173
2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane
CID 117227039
1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene
CID 101067794

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenyl)oxirane?
The IUPAC name of (2R)-2-(3-methoxyphenyl)oxirane (CID 22882163) is (2R)-2-(3-methoxyphenyl)oxirane.
What is the SMILES notation for (2R)-2-(3-methoxyphenyl)oxirane?
The canonical SMILES for (2R)-2-(3-methoxyphenyl)oxirane is COc1cccc([C@@H]2CO2)c1.
What is the InChIKey of (2R)-2-(3-methoxyphenyl)oxirane?
The InChIKey is IJUUWUSPXYGGKY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10O2/c1-10-8-4-2-3-7(5-8)9-6-11-9/h2-5,9H,6H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-(3-methoxyphenyl)oxirane?
(2R)-2-(3-methoxyphenyl)oxirane has a molecular weight of 150.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxyphenyl)oxirane is sourced from PubChem (CID 22882163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).