4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol

C21H21O6P — CID 23654795

IUPAC4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol
SMILESCOP(=O)(OC)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H21O6P/c1-26-28(25,27-2)21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24)14-8-17/h3-14,22-24H,1-2H3
InChIKeyHYHFYIIYEGHNEN-UHFFFAOYSA-N
MW400.37 g/mol
LogP4.58
Rot. Bonds6

About 4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol

4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol (PubChem CID 23654795) has the molecular formula C21H21O6P and a molecular weight of 400.37 g/mol. Its IUPAC name is 4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol
PubChem CID23654795
Molecular FormulaC21H21O6P
Molecular Weight400.37 g/mol
Exact Mass400.11
IUPAC Name4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol
SMILESCOP(=O)(OC)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H21O6P/c1-26-28(25,27-2)21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24)14-8-17/h3-14,22-24H,1-2H3
InChIKeyHYHFYIIYEGHNEN-UHFFFAOYSA-N
XLogP4.58
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol (CID 23654795) is 4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol is COP(=O)(OC)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol?
The InChIKey is HYHFYIIYEGHNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O6P/c1-26-28(25,27-2)21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24)14-8-17/h3-14,22-24H,1-2H3.
What are the key properties of 4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol?
4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol has a molecular weight of 400.37 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethoxyphosphoryl-bis(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 23654795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).