1,1-diphenylpropane-1,2-diol

C15H16O2 — CID 2748265

IUPAC1,1-diphenylpropane-1,2-diol
SMILESCC(O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16-17H,1H3
InChIKeyRQKXFLUAQLDHMO-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.30
Rot. Bonds3

About 1,1-diphenylpropane-1,2-diol

1,1-diphenylpropane-1,2-diol (PubChem CID 2748265) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1,1-diphenylpropane-1,2-diol.

Molecular Properties

Compound Name1,1-diphenylpropane-1,2-diol
PubChem CID2748265
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1,1-diphenylpropane-1,2-diol
SMILESCC(O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16-17H,1H3
InChIKeyRQKXFLUAQLDHMO-UHFFFAOYSA-N
XLogP2.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylpropane-1,2-diol?
The IUPAC name of 1,1-diphenylpropane-1,2-diol (CID 2748265) is 1,1-diphenylpropane-1,2-diol.
What is the SMILES notation for 1,1-diphenylpropane-1,2-diol?
The canonical SMILES for 1,1-diphenylpropane-1,2-diol is CC(O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylpropane-1,2-diol?
The InChIKey is RQKXFLUAQLDHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16-17H,1H3.
What are the key properties of 1,1-diphenylpropane-1,2-diol?
1,1-diphenylpropane-1,2-diol has a molecular weight of 228.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylpropane-1,2-diol is sourced from PubChem (CID 2748265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).