bis(2-phenyloxirane);2-phenylpropan-1-ol

C25H28O3 — CID 161299790

IUPACbis(2-phenyloxirane);2-phenylpropan-1-ol
SMILESCC(CO)c1ccccc1.c1ccc(C2CO2)cc1.c1ccc(C2CO2)cc1
InChIInChI=1S/C9H12O.2C8H8O/c1-8(7-10)9-5-3-2-4-6-9;2*1-2-4-7(5-3-1)8-6-9-8/h2-6,8,10H,7H2,1H3;2*1-5,8H,6H2
InChIKeyVHLLWEFNJGQDBP-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.30
Rot. Bonds4

About bis(2-phenyloxirane);2-phenylpropan-1-ol

bis(2-phenyloxirane);2-phenylpropan-1-ol (PubChem CID 161299790) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is bis(2-phenyloxirane);2-phenylpropan-1-ol.

Molecular Properties

Compound Namebis(2-phenyloxirane);2-phenylpropan-1-ol
PubChem CID161299790
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Namebis(2-phenyloxirane);2-phenylpropan-1-ol
SMILESCC(CO)c1ccccc1.c1ccc(C2CO2)cc1.c1ccc(C2CO2)cc1
InChIInChI=1S/C9H12O.2C8H8O/c1-8(7-10)9-5-3-2-4-6-9;2*1-2-4-7(5-3-1)8-6-9-8/h2-6,8,10H,7H2,1H3;2*1-5,8H,6H2
InChIKeyVHLLWEFNJGQDBP-UHFFFAOYSA-N
XLogP5.30
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 bis(2-phenyloxirane);2-phenylpropan-1-ol?
The IUPAC name of bis(2-phenyloxirane);2-phenylpropan-1-ol (CID 161299790) is bis(2-phenyloxirane);2-phenylpropan-1-ol.
What is the SMILES notation for bis(2-phenyloxirane);2-phenylpropan-1-ol?
The canonical SMILES for bis(2-phenyloxirane);2-phenylpropan-1-ol is CC(CO)c1ccccc1.c1ccc(C2CO2)cc1.c1ccc(C2CO2)cc1.
What is the InChIKey of bis(2-phenyloxirane);2-phenylpropan-1-ol?
The InChIKey is VHLLWEFNJGQDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.2C8H8O/c1-8(7-10)9-5-3-2-4-6-9;2*1-2-4-7(5-3-1)8-6-9-8/h2-6,8,10H,7H2,1H3;2*1-5,8H,6H2.
What are the key properties of bis(2-phenyloxirane);2-phenylpropan-1-ol?
bis(2-phenyloxirane);2-phenylpropan-1-ol has a molecular weight of 376.50 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenyloxirane);2-phenylpropan-1-ol is sourced from PubChem (CID 161299790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).