(3-hydroxyphenyl)-triphenylphosphanium perchlorate

C24H20ClO5P — CID 86077252

IUPAC(3-hydroxyphenyl)-triphenylphosphanium perchlorate
SMILESOc1cccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H19OP.ClHO4/c25-20-11-10-18-24(19-20)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23;2-1(3,4)5/h1-19H;(H,2,3,4,5)
InChIKeyDSHKDFUJNUDCAU-UHFFFAOYSA-N
MW454.85 g/mol
LogP-0.74
Rot. Bonds4

About (3-hydroxyphenyl)-triphenylphosphanium perchlorate

(3-hydroxyphenyl)-triphenylphosphanium perchlorate (PubChem CID 86077252) has the molecular formula C24H20ClO5P and a molecular weight of 454.85 g/mol. Its IUPAC name is (3-hydroxyphenyl)-triphenylphosphanium perchlorate.

Molecular Properties

Compound Name(3-hydroxyphenyl)-triphenylphosphanium perchlorate
PubChem CID86077252
Molecular FormulaC24H20ClO5P
Molecular Weight454.85 g/mol
Exact Mass454.07
IUPAC Name(3-hydroxyphenyl)-triphenylphosphanium perchlorate
SMILESOc1cccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H19OP.ClHO4/c25-20-11-10-18-24(19-20)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23;2-1(3,4)5/h1-19H;(H,2,3,4,5)
InChIKeyDSHKDFUJNUDCAU-UHFFFAOYSA-N
XLogP-0.74
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.85
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-diol;phenol
CID 23218590
palladium;tetraphenylphosphanium
CID 76575044
hydrogen borate;bis(tetraphenylphosphanium)
CID 174383886
dichlororuthenium;tris(tetraphenylphosphanium)
CID 173166250
tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
CID 139134309
benzene-1,3-dicarboxylate;bis(tetraphenylphosphanium)
CID 20544407
3-(2,4,6-triphenylpyridin-1-ium-1-yl)phenol perchlorate
CID 12647559
naphthalen-1-yl(triphenyl)phosphanium perchlorate
CID 71356057
benzene-1,3-dicarboxylic acid;tetraphenylphosphanium
CID 146567535
[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate
CID 158624992
tetraphenylphosphanium;trifluorophosphane
CID 175419552
sodium 3-triphenylphosphaniumylbenzenesulfonate
CID 102467828

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-triphenylphosphanium perchlorate?
The IUPAC name of (3-hydroxyphenyl)-triphenylphosphanium perchlorate (CID 86077252) is (3-hydroxyphenyl)-triphenylphosphanium perchlorate.
What is the SMILES notation for (3-hydroxyphenyl)-triphenylphosphanium perchlorate?
The canonical SMILES for (3-hydroxyphenyl)-triphenylphosphanium perchlorate is Oc1cccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of (3-hydroxyphenyl)-triphenylphosphanium perchlorate?
The InChIKey is DSHKDFUJNUDCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19OP.ClHO4/c25-20-11-10-18-24(19-20)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23;2-1(3,4)5/h1-19H;(H,2,3,4,5).
What are the key properties of (3-hydroxyphenyl)-triphenylphosphanium perchlorate?
(3-hydroxyphenyl)-triphenylphosphanium perchlorate has a molecular weight of 454.85 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-triphenylphosphanium perchlorate is sourced from PubChem (CID 86077252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).