diphenylphosphorylmethanol

C13H13O2P — CID 608528

IUPACdiphenylphosphorylmethanol
SMILESO=P(CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13O2P/c14-11-16(15,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyNSLPWSVZTYOGDO-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.95
Rot. Bonds3

About diphenylphosphorylmethanol

diphenylphosphorylmethanol (PubChem CID 608528) has the molecular formula C13H13O2P and a molecular weight of 232.22 g/mol. Its IUPAC name is diphenylphosphorylmethanol.

Molecular Properties

Compound Namediphenylphosphorylmethanol
PubChem CID608528
Molecular FormulaC13H13O2P
Molecular Weight232.22 g/mol
Exact Mass232.07
IUPAC Namediphenylphosphorylmethanol
SMILESO=P(CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13O2P/c14-11-16(15,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyNSLPWSVZTYOGDO-UHFFFAOYSA-N
XLogP1.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenylphosphorylmethanol?
The IUPAC name of diphenylphosphorylmethanol (CID 608528) is diphenylphosphorylmethanol.
What is the SMILES notation for diphenylphosphorylmethanol?
The canonical SMILES for diphenylphosphorylmethanol is O=P(CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphorylmethanol?
The InChIKey is NSLPWSVZTYOGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O2P/c14-11-16(15,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of diphenylphosphorylmethanol?
diphenylphosphorylmethanol has a molecular weight of 232.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphorylmethanol is sourced from PubChem (CID 608528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).