(2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium

C26H24O2P+ — CID 142276677

IUPAC(2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium
SMILESCc1ccc([P+](c2ccccc2)(c2ccc(C)cc2)c2cc(O)ccc2O)cc1
InChIInChI=1S/C26H23O2P/c1-19-8-13-23(14-9-19)29(22-6-4-3-5-7-22,24-15-10-20(2)11-16-24)26-18-21(27)12-17-25(26)28/h3-18H,1-2H3,(H-,27,28)/p+1
InChIKeySFYYWIHARYDFEM-UHFFFAOYSA-O
MW399.45 g/mol
LogP4.33
Rot. Bonds4

About (2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium

(2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium (PubChem CID 142276677) has the molecular formula C26H24O2P+ and a molecular weight of 399.45 g/mol. Its IUPAC name is (2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium.

Molecular Properties

Compound Name(2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium
PubChem CID142276677
Molecular FormulaC26H24O2P+
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name(2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium
SMILESCc1ccc([P+](c2ccccc2)(c2ccc(C)cc2)c2cc(O)ccc2O)cc1
InChIInChI=1S/C26H23O2P/c1-19-8-13-23(14-9-19)29(22-6-4-3-5-7-22,24-15-10-20(2)11-16-24)26-18-21(27)12-17-25(26)28/h3-18H,1-2H3,(H-,27,28)/p+1
InChIKeySFYYWIHARYDFEM-UHFFFAOYSA-O
XLogP4.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium?
The IUPAC name of (2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium (CID 142276677) is (2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium.
What is the SMILES notation for (2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium?
The canonical SMILES for (2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium is Cc1ccc([P+](c2ccccc2)(c2ccc(C)cc2)c2cc(O)ccc2O)cc1.
What is the InChIKey of (2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium?
The InChIKey is SFYYWIHARYDFEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H23O2P/c1-19-8-13-23(14-9-19)29(22-6-4-3-5-7-22,24-15-10-20(2)11-16-24)26-18-21(27)12-17-25(26)28/h3-18H,1-2H3,(H-,27,28)/p+1.
What are the key properties of (2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium?
(2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium has a molecular weight of 399.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxyphenyl)-bis(4-methylphenyl)-phenylphosphanium is sourced from PubChem (CID 142276677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).