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

C15H17O4P — CID 3041913

IUPAC[[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol
SMILESCOP(=O)(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H17O4P/c1-19-20(18,14(16)12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-17H,1H3
InChIKeyWGIGVKVTKBBGQU-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.29
Rot. Bonds5

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

[[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol (PubChem CID 3041913) has the molecular formula C15H17O4P and a molecular weight of 292.27 g/mol. Its IUPAC name is [[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol.

Molecular Properties

Compound Name[[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol
PubChem CID3041913
Molecular FormulaC15H17O4P
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name[[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol
SMILESCOP(=O)(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H17O4P/c1-19-20(18,14(16)12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-17H,1H3
InChIKeyWGIGVKVTKBBGQU-UHFFFAOYSA-N
XLogP3.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-methoxyphosphoryl]-phenylmethanol?
The IUPAC name of [[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol (CID 3041913) is [[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol.
What is the SMILES notation for [[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol?
The canonical SMILES for [[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol is COP(=O)(C(O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of [[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol?
The InChIKey is WGIGVKVTKBBGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O4P/c1-19-20(18,14(16)12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-17H,1H3.
What are the key properties of [[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol?
[[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol has a molecular weight of 292.27 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[hydroxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethanol is sourced from PubChem (CID 3041913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).