[[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol

C20H19O3P — CID 3784616

IUPAC[[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol
SMILESO=P(c1ccccc1)(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C20H19O3P/c21-19(16-10-4-1-5-11-16)24(23,18-14-8-3-9-15-18)20(22)17-12-6-2-7-13-17/h1-15,19-22H
InChIKeyTYGKBJDXLZIRHM-UHFFFAOYSA-N
MW338.34 g/mol
LogP4.06
Rot. Bonds5

About [[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol

[[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol (PubChem CID 3784616) has the molecular formula C20H19O3P and a molecular weight of 338.34 g/mol. Its IUPAC name is [[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol.

Molecular Properties

Compound Name[[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol
PubChem CID3784616
Molecular FormulaC20H19O3P
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name[[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol
SMILESO=P(c1ccccc1)(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C20H19O3P/c21-19(16-10-4-1-5-11-16)24(23,18-14-8-3-9-15-18)20(22)17-12-6-2-7-13-17/h1-15,19-22H
InChIKeyTYGKBJDXLZIRHM-UHFFFAOYSA-N
XLogP4.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol?
The IUPAC name of [[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol (CID 3784616) is [[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol.
What is the SMILES notation for [[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol?
The canonical SMILES for [[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol is O=P(c1ccccc1)(C(O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of [[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol?
The InChIKey is TYGKBJDXLZIRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O3P/c21-19(16-10-4-1-5-11-16)24(23,18-14-8-3-9-15-18)20(22)17-12-6-2-7-13-17/h1-15,19-22H.
What are the key properties of [[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol?
[[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol has a molecular weight of 338.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol is sourced from PubChem (CID 3784616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).