(2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane

C19H20O2 — CID 129383518

IUPAC(2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane
SMILESc1cc(C[C@H]2CO2)ccc1Cc1ccc(C[C@@H]2CO2)cc1
InChIInChI=1S/C19H20O2/c1-5-16(10-18-12-20-18)6-2-14(1)9-15-3-7-17(8-4-15)11-19-13-21-19/h1-8,18-19H,9-13H2/t18-,19+
InChIKeyATCOEVAUHQFCNN-KDURUIRLSA-N
MW280.37 g/mol
LogP3.16
Rot. Bonds6

About (2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane

(2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane (PubChem CID 129383518) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane
PubChem CID129383518
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane
SMILESc1cc(C[C@H]2CO2)ccc1Cc1ccc(C[C@@H]2CO2)cc1
InChIInChI=1S/C19H20O2/c1-5-16(10-18-12-20-18)6-2-14(1)9-15-3-7-17(8-4-15)11-19-13-21-19/h1-8,18-19H,9-13H2/t18-,19+
InChIKeyATCOEVAUHQFCNN-KDURUIRLSA-N
XLogP3.16
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.16
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-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane?
The IUPAC name of (2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane (CID 129383518) is (2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane?
The canonical SMILES for (2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane is c1cc(C[C@H]2CO2)ccc1Cc1ccc(C[C@@H]2CO2)cc1.
What is the InChIKey of (2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane?
The InChIKey is ATCOEVAUHQFCNN-KDURUIRLSA-N. The full InChI is InChI=1S/C19H20O2/c1-5-16(10-18-12-20-18)6-2-14(1)9-15-3-7-17(8-4-15)11-19-13-21-19/h1-8,18-19H,9-13H2/t18-,19+.
What are the key properties of (2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane?
(2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane has a molecular weight of 280.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane is sourced from PubChem (CID 129383518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).