4-bis(4-phenoxyphenyl)phosphorylphenol

C30H23O4P — CID 22491596

IUPAC4-bis(4-phenoxyphenyl)phosphorylphenol
SMILESO=P(c1ccc(O)cc1)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H23O4P/c31-23-11-17-28(18-12-23)35(32,29-19-13-26(14-20-29)33-24-7-3-1-4-8-24)30-21-15-27(16-22-30)34-25-9-5-2-6-10-25/h1-22,31H
InChIKeyIHASAJAGQUQZSU-UHFFFAOYSA-N
MW478.48 g/mol
LogP6.62
Rot. Bonds7

About 4-bis(4-phenoxyphenyl)phosphorylphenol

4-bis(4-phenoxyphenyl)phosphorylphenol (PubChem CID 22491596) has the molecular formula C30H23O4P and a molecular weight of 478.48 g/mol. Its IUPAC name is 4-bis(4-phenoxyphenyl)phosphorylphenol.

Molecular Properties

Compound Name4-bis(4-phenoxyphenyl)phosphorylphenol
PubChem CID22491596
Molecular FormulaC30H23O4P
Molecular Weight478.48 g/mol
Exact Mass478.13
IUPAC Name4-bis(4-phenoxyphenyl)phosphorylphenol
SMILESO=P(c1ccc(O)cc1)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H23O4P/c31-23-11-17-28(18-12-23)35(32,29-19-13-26(14-20-29)33-24-7-3-1-4-8-24)30-21-15-27(16-22-30)34-25-9-5-2-6-10-25/h1-22,31H
InChIKeyIHASAJAGQUQZSU-UHFFFAOYSA-N
XLogP6.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.48
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxyphenol;propanoic acid
CID 67658817
bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
chlorophosphonic acid;1-methyl-4-phenoxybenzene
CID 88791217
1-diethylphosphoryl-4-phenoxybenzene
CID 139885609
4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol
CID 142817698
4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol
CID 155639778
tris(4-phenoxyphenyl) phosphate
CID 70576220
1-diphenylphosphoryl-4-phenylmethoxybenzene
CID 86086109
tripotassium;phenoxybenzene;phosphate
CID 160692134
ethane-1,2-diol;phenoxybenzene;phosphoric acid
CID 175293363
[4-(4-hydroxyphenyl)phenyl] phenyl carbonate
CID 146436469
diphenylphosphorylbenzene;terbium
CID 86595283

Frequently Asked Questions

What is the IUPAC name of 4-bis(4-phenoxyphenyl)phosphorylphenol?
The IUPAC name of 4-bis(4-phenoxyphenyl)phosphorylphenol (CID 22491596) is 4-bis(4-phenoxyphenyl)phosphorylphenol.
What is the SMILES notation for 4-bis(4-phenoxyphenyl)phosphorylphenol?
The canonical SMILES for 4-bis(4-phenoxyphenyl)phosphorylphenol is O=P(c1ccc(O)cc1)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-bis(4-phenoxyphenyl)phosphorylphenol?
The InChIKey is IHASAJAGQUQZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23O4P/c31-23-11-17-28(18-12-23)35(32,29-19-13-26(14-20-29)33-24-7-3-1-4-8-24)30-21-15-27(16-22-30)34-25-9-5-2-6-10-25/h1-22,31H.
What are the key properties of 4-bis(4-phenoxyphenyl)phosphorylphenol?
4-bis(4-phenoxyphenyl)phosphorylphenol has a molecular weight of 478.48 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bis(4-phenoxyphenyl)phosphorylphenol is sourced from PubChem (CID 22491596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).