hydroxy-tris(2-methoxyphenyl)phosphanium

C21H22O4P+ — CID 87283102

IUPAChydroxy-tris(2-methoxyphenyl)phosphanium
SMILESCOc1ccccc1[P+](O)(c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C21H22O4P/c1-23-16-10-4-7-13-19(16)26(22,20-14-8-5-11-17(20)24-2)21-15-9-6-12-18(21)25-3/h4-15,22H,1-3H3/q+1
InChIKeyPXCSOMXQUVNKLL-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.91
Rot. Bonds6

About hydroxy-tris(2-methoxyphenyl)phosphanium

hydroxy-tris(2-methoxyphenyl)phosphanium (PubChem CID 87283102) has the molecular formula C21H22O4P+ and a molecular weight of 369.38 g/mol. Its IUPAC name is hydroxy-tris(2-methoxyphenyl)phosphanium.

Molecular Properties

Compound Namehydroxy-tris(2-methoxyphenyl)phosphanium
PubChem CID87283102
Molecular FormulaC21H22O4P+
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Namehydroxy-tris(2-methoxyphenyl)phosphanium
SMILESCOc1ccccc1[P+](O)(c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C21H22O4P/c1-23-16-10-4-7-13-19(16)26(22,20-14-8-5-11-17(20)24-2)21-15-9-6-12-18(21)25-3/h4-15,22H,1-3H3/q+1
InChIKeyPXCSOMXQUVNKLL-UHFFFAOYSA-N
XLogP2.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.91
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

bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
(2-methoxyphenyl)-triphenylphosphanium bromide
CID 18355982
azane;2-methoxyphenol
CID 172717837
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162425
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide
CID 88611570
1-chloro-1-(2-methoxyphenyl)propan-2-ol
CID 69345469
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238

Frequently Asked Questions

What is the IUPAC name of hydroxy-tris(2-methoxyphenyl)phosphanium?
The IUPAC name of hydroxy-tris(2-methoxyphenyl)phosphanium (CID 87283102) is hydroxy-tris(2-methoxyphenyl)phosphanium.
What is the SMILES notation for hydroxy-tris(2-methoxyphenyl)phosphanium?
The canonical SMILES for hydroxy-tris(2-methoxyphenyl)phosphanium is COc1ccccc1[P+](O)(c1ccccc1OC)c1ccccc1OC.
What is the InChIKey of hydroxy-tris(2-methoxyphenyl)phosphanium?
The InChIKey is PXCSOMXQUVNKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4P/c1-23-16-10-4-7-13-19(16)26(22,20-14-8-5-11-17(20)24-2)21-15-9-6-12-18(21)25-3/h4-15,22H,1-3H3/q+1.
What are the key properties of hydroxy-tris(2-methoxyphenyl)phosphanium?
hydroxy-tris(2-methoxyphenyl)phosphanium has a molecular weight of 369.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-tris(2-methoxyphenyl)phosphanium is sourced from PubChem (CID 87283102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).