4-bis(4-hydroxyphenyl)phosphorylphenol

C18H15O4P — CID 4183961

IUPAC4-bis(4-hydroxyphenyl)phosphorylphenol
SMILESO=P(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H15O4P/c19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12,19-21H
InChIKeyLMBQOLBVWODAFG-UHFFFAOYSA-N
MW326.29 g/mol
LogP2.44
Rot. Bonds3

About 4-bis(4-hydroxyphenyl)phosphorylphenol

4-bis(4-hydroxyphenyl)phosphorylphenol (PubChem CID 4183961) has the molecular formula C18H15O4P and a molecular weight of 326.29 g/mol. Its IUPAC name is 4-bis(4-hydroxyphenyl)phosphorylphenol.

Molecular Properties

Compound Name4-bis(4-hydroxyphenyl)phosphorylphenol
PubChem CID4183961
Molecular FormulaC18H15O4P
Molecular Weight326.29 g/mol
Exact Mass326.07
IUPAC Name4-bis(4-hydroxyphenyl)phosphorylphenol
SMILESO=P(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H15O4P/c19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12,19-21H
InChIKeyLMBQOLBVWODAFG-UHFFFAOYSA-N
XLogP2.44
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 52.44
H-Bond Donors ≤ 53
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 4-bis(4-hydroxyphenyl)phosphorylphenol?
The IUPAC name of 4-bis(4-hydroxyphenyl)phosphorylphenol (CID 4183961) is 4-bis(4-hydroxyphenyl)phosphorylphenol.
What is the SMILES notation for 4-bis(4-hydroxyphenyl)phosphorylphenol?
The canonical SMILES for 4-bis(4-hydroxyphenyl)phosphorylphenol is O=P(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-bis(4-hydroxyphenyl)phosphorylphenol?
The InChIKey is LMBQOLBVWODAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O4P/c19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12,19-21H.
What are the key properties of 4-bis(4-hydroxyphenyl)phosphorylphenol?
4-bis(4-hydroxyphenyl)phosphorylphenol has a molecular weight of 326.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bis(4-hydroxyphenyl)phosphorylphenol is sourced from PubChem (CID 4183961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).