trihydroxy(3-phenylprop-2-enyl)phosphanium

C9H12O3P+ — CID 70142410

IUPACtrihydroxy(3-phenylprop-2-enyl)phosphanium
SMILESO[P+](O)(O)CC=Cc1ccccc1
InChIInChI=1S/C9H12O3P/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-7,10-12H,8H2/q+1
InChIKeyRSZLTANCVIZGLS-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.44
Rot. Bonds3

About trihydroxy(3-phenylprop-2-enyl)phosphanium

trihydroxy(3-phenylprop-2-enyl)phosphanium (PubChem CID 70142410) has the molecular formula C9H12O3P+ and a molecular weight of 199.17 g/mol. Its IUPAC name is trihydroxy(3-phenylprop-2-enyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy(3-phenylprop-2-enyl)phosphanium
PubChem CID70142410
Molecular FormulaC9H12O3P+
Molecular Weight199.17 g/mol
Exact Mass199.05
IUPAC Nametrihydroxy(3-phenylprop-2-enyl)phosphanium
SMILESO[P+](O)(O)CC=Cc1ccccc1
InChIInChI=1S/C9H12O3P/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-7,10-12H,8H2/q+1
InChIKeyRSZLTANCVIZGLS-UHFFFAOYSA-N
XLogP1.44
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(1E,5E)-1-phenylhepta-1,5-dien-4-ol
CID 100975516
chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium
CID 173397693
(1E,7E)-5-hydroxy-1,8-diphenylocta-1,7-dien-4-one
CID 101237032
4-chloropent-1-enylbenzene
CID 66808272
(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol
CID 10729956
(E)-5-phenylpent-4-en-2-amine
CID 55254237
(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol
CID 71601870
hexafluoroantimony(1-);hydron;triphenyl(3-phenylprop-2-enyl)phosphanium
CID 174648580
4,5-dimethylhepta-1,5-dienylbenzene
CID 123392853
CID 140512150
CID 140512150
3-phenylprop-2-ene-1,1-diol
CID 54432533

Frequently Asked Questions

What is the IUPAC name of trihydroxy(3-phenylprop-2-enyl)phosphanium?
The IUPAC name of trihydroxy(3-phenylprop-2-enyl)phosphanium (CID 70142410) is trihydroxy(3-phenylprop-2-enyl)phosphanium.
What is the SMILES notation for trihydroxy(3-phenylprop-2-enyl)phosphanium?
The canonical SMILES for trihydroxy(3-phenylprop-2-enyl)phosphanium is O[P+](O)(O)CC=Cc1ccccc1.
What is the InChIKey of trihydroxy(3-phenylprop-2-enyl)phosphanium?
The InChIKey is RSZLTANCVIZGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3P/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-7,10-12H,8H2/q+1.
What are the key properties of trihydroxy(3-phenylprop-2-enyl)phosphanium?
trihydroxy(3-phenylprop-2-enyl)phosphanium has a molecular weight of 199.17 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(3-phenylprop-2-enyl)phosphanium is sourced from PubChem (CID 70142410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).