[2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium

C10H14O5P+ — CID 70524027

IUPAC[2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)Oc1cccc(CCO)c1CCO
InChIInChI=1S/C10H13O5P/c11-6-4-8-2-1-3-10(15-16(13)14)9(8)5-7-12/h1-3,11-12H,4-7H2/p+1
InChIKeyJAYFOPUJEFIIBX-UHFFFAOYSA-O
MW245.19 g/mol
LogP0.78
Rot. Bonds6

About [2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium

[2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium (PubChem CID 70524027) has the molecular formula C10H14O5P+ and a molecular weight of 245.19 g/mol. Its IUPAC name is [2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium
PubChem CID70524027
Molecular FormulaC10H14O5P+
Molecular Weight245.19 g/mol
Exact Mass245.06
IUPAC Name[2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)Oc1cccc(CCO)c1CCO
InChIInChI=1S/C10H13O5P/c11-6-4-8-2-1-3-10(15-16(13)14)9(8)5-7-12/h1-3,11-12H,4-7H2/p+1
InChIKeyJAYFOPUJEFIIBX-UHFFFAOYSA-O
XLogP0.78
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,3-diethylphenoxy)-hydroxy-oxophosphanium
CID 66957661
2-(2-ethyl-6-methoxyphenyl)ethanol
CID 143738643
hydroxy-(2-octylphenoxy)-oxophosphanium
CID 67546682
2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol
CID 23064642
[3-(2-hydroxyethyl)-2-[(2-nitrophenyl)methyl]phenyl] acetate
CID 67926920
2-[2-[(2,6-dimethylphenyl)methoxy]phenyl]ethanol
CID 107713072
2-[2-[[4-(aminomethyl)phenyl]methoxy]phenyl]ethanol
CID 107712248
3-(2-hydroxyethyl)-2-(hydroxymethyl)benzenesulfonic acid
CID 87773616
2-bromo-3-(2-hydroxyethyl)phenol
CID 141056029
2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838
2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol
CID 154291295

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium?
The IUPAC name of [2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium (CID 70524027) is [2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium is O=[P+](O)Oc1cccc(CCO)c1CCO.
What is the InChIKey of [2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium?
The InChIKey is JAYFOPUJEFIIBX-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13O5P/c11-6-4-8-2-1-3-10(15-16(13)14)9(8)5-7-12/h1-3,11-12H,4-7H2/p+1.
What are the key properties of [2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium?
[2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium has a molecular weight of 245.19 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(2-hydroxyethyl)phenoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 70524027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).