2,2-dibenzylpropane-1,3-diol

C17H20O2 — CID 11076067

IUPAC2,2-dibenzylpropane-1,3-diol
SMILESOCC(CO)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H20O2/c18-13-17(14-19,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,18-19H,11-14H2
InChIKeyAZLRECYOMFCGTK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.44
Rot. Bonds6

About 2,2-dibenzylpropane-1,3-diol

2,2-dibenzylpropane-1,3-diol (PubChem CID 11076067) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2-dibenzylpropane-1,3-diol.

Molecular Properties

Compound Name2,2-dibenzylpropane-1,3-diol
PubChem CID11076067
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name2,2-dibenzylpropane-1,3-diol
SMILESOCC(CO)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H20O2/c18-13-17(14-19,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,18-19H,11-14H2
InChIKeyAZLRECYOMFCGTK-UHFFFAOYSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzylpropane-1,3-diol?
The IUPAC name of 2,2-dibenzylpropane-1,3-diol (CID 11076067) is 2,2-dibenzylpropane-1,3-diol.
What is the SMILES notation for 2,2-dibenzylpropane-1,3-diol?
The canonical SMILES for 2,2-dibenzylpropane-1,3-diol is OCC(CO)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2,2-dibenzylpropane-1,3-diol?
The InChIKey is AZLRECYOMFCGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-13-17(14-19,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,18-19H,11-14H2.
What are the key properties of 2,2-dibenzylpropane-1,3-diol?
2,2-dibenzylpropane-1,3-diol has a molecular weight of 256.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzylpropane-1,3-diol is sourced from PubChem (CID 11076067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).