3,5-dihydroxy-5,5-diphenylpentanenitrile

C17H17NO2 — CID 102249687

IUPAC3,5-dihydroxy-5,5-diphenylpentanenitrile
SMILESN#CCC(O)CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c18-12-11-16(19)13-17(20,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19-20H,11,13H2
InChIKeyTVBBIDOXGRXPLT-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.59
Rot. Bonds5

About 3,5-dihydroxy-5,5-diphenylpentanenitrile

3,5-dihydroxy-5,5-diphenylpentanenitrile (PubChem CID 102249687) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,5-dihydroxy-5,5-diphenylpentanenitrile.

Molecular Properties

Compound Name3,5-dihydroxy-5,5-diphenylpentanenitrile
PubChem CID102249687
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3,5-dihydroxy-5,5-diphenylpentanenitrile
SMILESN#CCC(O)CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c18-12-11-16(19)13-17(20,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19-20H,11,13H2
InChIKeyTVBBIDOXGRXPLT-UHFFFAOYSA-N
XLogP2.59
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-5,5-diphenylpentanenitrile?
The IUPAC name of 3,5-dihydroxy-5,5-diphenylpentanenitrile (CID 102249687) is 3,5-dihydroxy-5,5-diphenylpentanenitrile.
What is the SMILES notation for 3,5-dihydroxy-5,5-diphenylpentanenitrile?
The canonical SMILES for 3,5-dihydroxy-5,5-diphenylpentanenitrile is N#CCC(O)CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,5-dihydroxy-5,5-diphenylpentanenitrile?
The InChIKey is TVBBIDOXGRXPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c18-12-11-16(19)13-17(20,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19-20H,11,13H2.
What are the key properties of 3,5-dihydroxy-5,5-diphenylpentanenitrile?
3,5-dihydroxy-5,5-diphenylpentanenitrile has a molecular weight of 267.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-5,5-diphenylpentanenitrile is sourced from PubChem (CID 102249687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).