(2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane

C19H22O2 — CID 89232851

IUPAC(2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane
SMILESCc1ccc(-c2ccccc2[C@@H](C)OC[C@H]2CO2)cc1C
InChIInChI=1S/C19H22O2/c1-13-8-9-16(10-14(13)2)19-7-5-4-6-18(19)15(3)20-11-17-12-21-17/h4-10,15,17H,11-12H2,1-3H3/t15-,17+/m1/s1
InChIKeyICQDGOIBPPLSLF-WBVHZDCISA-N
MW282.38 g/mol
LogP4.45
Rot. Bonds5

About (2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane

(2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane (PubChem CID 89232851) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane
PubChem CID89232851
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane
SMILESCc1ccc(-c2ccccc2[C@@H](C)OC[C@H]2CO2)cc1C
InChIInChI=1S/C19H22O2/c1-13-8-9-16(10-14(13)2)19-7-5-4-6-18(19)15(3)20-11-17-12-21-17/h4-10,15,17H,11-12H2,1-3H3/t15-,17+/m1/s1
InChIKeyICQDGOIBPPLSLF-WBVHZDCISA-N
XLogP4.45
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.45
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 (2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane?
The IUPAC name of (2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane (CID 89232851) is (2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane?
The canonical SMILES for (2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane is Cc1ccc(-c2ccccc2[C@@H](C)OC[C@H]2CO2)cc1C.
What is the InChIKey of (2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane?
The InChIKey is ICQDGOIBPPLSLF-WBVHZDCISA-N. The full InChI is InChI=1S/C19H22O2/c1-13-8-9-16(10-14(13)2)19-7-5-4-6-18(19)15(3)20-11-17-12-21-17/h4-10,15,17H,11-12H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane?
(2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane has a molecular weight of 282.38 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane is sourced from PubChem (CID 89232851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).