2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one

C25H26O3 — CID 15163839

IUPAC2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one
SMILESCC(OCC(O)(Cc1ccccc1)Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C25H26O3/c1-20(24(26)23-15-9-4-10-16-23)28-19-25(27,17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16,20,27H,17-19H2,1H3
InChIKeyXNFFTUJWBRKAES-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.49
Rot. Bonds9

About 2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one

2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one (PubChem CID 15163839) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one
PubChem CID15163839
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one
SMILESCC(OCC(O)(Cc1ccccc1)Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C25H26O3/c1-20(24(26)23-15-9-4-10-16-23)28-19-25(27,17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16,20,27H,17-19H2,1H3
InChIKeyXNFFTUJWBRKAES-UHFFFAOYSA-N
XLogP4.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one?
The IUPAC name of 2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one (CID 15163839) is 2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one?
The canonical SMILES for 2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one is CC(OCC(O)(Cc1ccccc1)Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one?
The InChIKey is XNFFTUJWBRKAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-20(24(26)23-15-9-4-10-16-23)28-19-25(27,17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16,20,27H,17-19H2,1H3.
What are the key properties of 2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one?
2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one has a molecular weight of 374.48 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one is sourced from PubChem (CID 15163839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).