dihydroxy-(4-methylphenoxy)-phenylphosphanium

C13H14O3P+ — CID 174478390

IUPACdihydroxy-(4-methylphenoxy)-phenylphosphanium
SMILESCc1ccc(O[P+](O)(O)c2ccccc2)cc1
InChIInChI=1S/C13H14O3P/c1-11-7-9-12(10-8-11)16-17(14,15)13-5-3-2-4-6-13/h2-10,14-15H,1H3/q+1
InChIKeyYDOBCDOARIUHJK-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.45
Rot. Bonds3

About dihydroxy-(4-methylphenoxy)-phenylphosphanium

dihydroxy-(4-methylphenoxy)-phenylphosphanium (PubChem CID 174478390) has the molecular formula C13H14O3P+ and a molecular weight of 249.23 g/mol. Its IUPAC name is dihydroxy-(4-methylphenoxy)-phenylphosphanium.

Molecular Properties

Compound Namedihydroxy-(4-methylphenoxy)-phenylphosphanium
PubChem CID174478390
Molecular FormulaC13H14O3P+
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Namedihydroxy-(4-methylphenoxy)-phenylphosphanium
SMILESCc1ccc(O[P+](O)(O)c2ccccc2)cc1
InChIInChI=1S/C13H14O3P/c1-11-7-9-12(10-8-11)16-17(14,15)13-5-3-2-4-6-13/h2-10,14-15H,1H3/q+1
InChIKeyYDOBCDOARIUHJK-UHFFFAOYSA-N
XLogP2.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-2-phenoxyacetic acid
CID 151278222
ethoxy-dihydroxy-phenylphosphanium
CID 56992947
2-(4-methylphenyl)-1-phenoxyethanol
CID 57226645
(2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium
CID 175108022
iodo-tris(4-methylphenoxy)phosphanium
CID 139153583
benzene;bis(1,4-xylene)
CID 159472747
[(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium
CID 57380465
trihydroxy(phenoxy)phosphanium
CID 11592959
(2R,3R)-2-hydroxy-3-(4-methylphenoxy)butanedioic acid
CID 69002771
(4-methylphenyl) hydrogen carbonate
CID 19016637
1-methoxy-4-methylbenzene;phenol
CID 167630836
N-[1-(4-methylphenoxy)ethyl]aniline
CID 154338063

Frequently Asked Questions

What is the IUPAC name of dihydroxy-(4-methylphenoxy)-phenylphosphanium?
The IUPAC name of dihydroxy-(4-methylphenoxy)-phenylphosphanium (CID 174478390) is dihydroxy-(4-methylphenoxy)-phenylphosphanium.
What is the SMILES notation for dihydroxy-(4-methylphenoxy)-phenylphosphanium?
The canonical SMILES for dihydroxy-(4-methylphenoxy)-phenylphosphanium is Cc1ccc(O[P+](O)(O)c2ccccc2)cc1.
What is the InChIKey of dihydroxy-(4-methylphenoxy)-phenylphosphanium?
The InChIKey is YDOBCDOARIUHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3P/c1-11-7-9-12(10-8-11)16-17(14,15)13-5-3-2-4-6-13/h2-10,14-15H,1H3/q+1.
What are the key properties of dihydroxy-(4-methylphenoxy)-phenylphosphanium?
dihydroxy-(4-methylphenoxy)-phenylphosphanium has a molecular weight of 249.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(4-methylphenoxy)-phenylphosphanium is sourced from PubChem (CID 174478390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).