trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium

C8H12O4P+ — CID 67571365

IUPACtrihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium
SMILESOCCc1ccc([P+](O)(O)O)cc1
InChIInChI=1S/C8H12O4P/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4,9-12H,5-6H2/q+1
InChIKeyYCVQKEXMGBVSIP-UHFFFAOYSA-N
MW203.15 g/mol
LogP-0.41
Rot. Bonds3

About trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium

trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium (PubChem CID 67571365) has the molecular formula C8H12O4P+ and a molecular weight of 203.15 g/mol. Its IUPAC name is trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium.

Molecular Properties

Compound Nametrihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium
PubChem CID67571365
Molecular FormulaC8H12O4P+
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Nametrihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium
SMILESOCCc1ccc([P+](O)(O)O)cc1
InChIInChI=1S/C8H12O4P/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4,9-12H,5-6H2/q+1
InChIKeyYCVQKEXMGBVSIP-UHFFFAOYSA-N
XLogP-0.41
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 170823909
4-(2-hydroxyethyl)benzoic acid
CID 506062
butane-2,3-diol;2-phenylethanol
CID 175116943
2-[4-[4-(2-hydroxyethyl)-N-[4-(2-hydroxyethyl)phenyl]anilino]phenyl]ethanol
CID 20580135
formaldehyde;2-phenylethanol
CID 143785167
3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butanoic acid
CID 171877617
2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 77218984
(2S)-2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 67057392
2-(4-propan-2-ylsulfonylphenyl)ethanol
CID 69406011
2-[4-(methylsulfonylmethyl)phenyl]ethanol
CID 117305726
2-[4-(3-fluoropropyl)phenyl]ethanol
CID 117279232
2-[4-(heptan-4-ylamino)phenyl]ethanol
CID 61236944

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium?
The IUPAC name of trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium (CID 67571365) is trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium.
What is the SMILES notation for trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium?
The canonical SMILES for trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium is OCCc1ccc([P+](O)(O)O)cc1.
What is the InChIKey of trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium?
The InChIKey is YCVQKEXMGBVSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4P/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4,9-12H,5-6H2/q+1.
What are the key properties of trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium?
trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium has a molecular weight of 203.15 g/mol, XLogP of -0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[4-(2-hydroxyethyl)phenyl]phosphanium is sourced from PubChem (CID 67571365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).