(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane

C17H18O2 — CID 2507782

IUPAC(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane
SMILESCc1ccc([C@H](OC[C@H]2CO2)c2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-13-7-9-15(10-8-13)17(19-12-16-11-18-16)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16-,17-/m1/s1
InChIKeyJEFBFSPUPJAMED-IAGOWNOFSA-N
MW254.33 g/mol
LogP3.50
Rot. Bonds5

About (2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane

(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane (PubChem CID 2507782) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane
PubChem CID2507782
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane
SMILESCc1ccc([C@H](OC[C@H]2CO2)c2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-13-7-9-15(10-8-13)17(19-12-16-11-18-16)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16-,17-/m1/s1
InChIKeyJEFBFSPUPJAMED-IAGOWNOFSA-N
XLogP3.50
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.50
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-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane?
The IUPAC name of (2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane (CID 2507782) is (2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane?
The canonical SMILES for (2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane is Cc1ccc([C@H](OC[C@H]2CO2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane?
The InChIKey is JEFBFSPUPJAMED-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H18O2/c1-13-7-9-15(10-8-13)17(19-12-16-11-18-16)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of (2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane?
(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane has a molecular weight of 254.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane is sourced from PubChem (CID 2507782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).