ethoxy-dihydroxy-phenylphosphanium

C8H12O3P+ — CID 56992947

IUPACethoxy-dihydroxy-phenylphosphanium
SMILESCCO[P+](O)(O)c1ccccc1
InChIInChI=1S/C8H12O3P/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/q+1
InChIKeyJWOCOYLWPJZHSO-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.10
Rot. Bonds3

About ethoxy-dihydroxy-phenylphosphanium

ethoxy-dihydroxy-phenylphosphanium (PubChem CID 56992947) has the molecular formula C8H12O3P+ and a molecular weight of 187.15 g/mol. Its IUPAC name is ethoxy-dihydroxy-phenylphosphanium.

Molecular Properties

Compound Nameethoxy-dihydroxy-phenylphosphanium
PubChem CID56992947
Molecular FormulaC8H12O3P+
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Nameethoxy-dihydroxy-phenylphosphanium
SMILESCCO[P+](O)(O)c1ccccc1
InChIInChI=1S/C8H12O3P/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/q+1
InChIKeyJWOCOYLWPJZHSO-UHFFFAOYSA-N
XLogP1.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.10
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

ethoxy(triphenyl)phosphanium
CID 10092776
ethoxy(triphenyl)phosphanium chloride
CID 154791752
ethoxy(triphenyl)phosphanium;hydrochloride
CID 175230805
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
1-ethoxyethanol;toluene
CID 19827578
hydroxy-di(nonoxy)-phenylphosphanium
CID 172838526
(1R)-4,4-diethoxy-1-phenylbut-2-yn-1-ol
CID 95737739
didecoxy-hydroxy-phenylphosphanium
CID 70413003
2-ethoxy-1,2-diphenylethanol
CID 3767197
1-ethoxyethenyl(triphenyl)phosphanium
CID 3016976
dihydroxy-(4-methylphenoxy)-phenylphosphanium
CID 174478390
2-(1-ethoxypropan-2-yloxy)-1-phenylethanol
CID 103489701

Frequently Asked Questions

What is the IUPAC name of ethoxy-dihydroxy-phenylphosphanium?
The IUPAC name of ethoxy-dihydroxy-phenylphosphanium (CID 56992947) is ethoxy-dihydroxy-phenylphosphanium.
What is the SMILES notation for ethoxy-dihydroxy-phenylphosphanium?
The canonical SMILES for ethoxy-dihydroxy-phenylphosphanium is CCO[P+](O)(O)c1ccccc1.
What is the InChIKey of ethoxy-dihydroxy-phenylphosphanium?
The InChIKey is JWOCOYLWPJZHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3P/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/q+1.
What are the key properties of ethoxy-dihydroxy-phenylphosphanium?
ethoxy-dihydroxy-phenylphosphanium has a molecular weight of 187.15 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dihydroxy-phenylphosphanium is sourced from PubChem (CID 56992947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).