1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium

C13H24O6P+ — CID 174332580

IUPAC1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium
SMILESCCC(O)(O)c1ccccc1.OC[P+](CO)(CO)CO
InChIInChI=1S/C9H12O2.C4H12O4P/c1-2-9(10,11)8-6-4-3-5-7-8;5-1-9(2-6,3-7)4-8/h3-7,10-11H,2H2,1H3;5-8H,1-4H2/q;+1
InChIKeyWZAXRFBUPXUKJW-UHFFFAOYSA-N
MW307.30 g/mol
LogP0.04
Rot. Bonds6

About 1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium

1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium (PubChem CID 174332580) has the molecular formula C13H24O6P+ and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium.

Molecular Properties

Compound Name1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium
PubChem CID174332580
Molecular FormulaC13H24O6P+
Molecular Weight307.30 g/mol
Exact Mass307.13
IUPAC Name1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium
SMILESCCC(O)(O)c1ccccc1.OC[P+](CO)(CO)CO
InChIInChI=1S/C9H12O2.C4H12O4P/c1-2-9(10,11)8-6-4-3-5-7-8;5-1-9(2-6,3-7)4-8/h3-7,10-11H,2H2,1H3;5-8H,1-4H2/q;+1
InChIKeyWZAXRFBUPXUKJW-UHFFFAOYSA-N
XLogP0.04
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.30
LogP ≤ 50.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonic acid;1-phenylpropane-1,1-diol
CID 158239997
bis(1-phenylpropane-1,1-diol);phosphoric acid
CID 175284612
aniline;1-phenylpropane-1,1-diol
CID 159835517
4-hydroxybenzaldehyde;1-phenylpropane-1,1-diol
CID 174730907
phenyl dihydrogen phosphate;1-phenylpropane-1,1-diol
CID 174749321
diphenyl carbonate;phenol;1-phenylpropane-1,1-diol
CID 174410153
bis(1H-benzimidazole);1-phenylpropane-1,1-diol;dihydrochloride
CID 174798062
azepan-2-one;1-phenylpropane-1,1-diol
CID 174768903
ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene)
CID 18688502
5-methylidene-3-phenylhept-6-en-3-ol
CID 90476881
(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
CID 174399635
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium?
The IUPAC name of 1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium (CID 174332580) is 1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium.
What is the SMILES notation for 1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium?
The canonical SMILES for 1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium is CCC(O)(O)c1ccccc1.OC[P+](CO)(CO)CO.
What is the InChIKey of 1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium?
The InChIKey is WZAXRFBUPXUKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C4H12O4P/c1-2-9(10,11)8-6-4-3-5-7-8;5-1-9(2-6,3-7)4-8/h3-7,10-11H,2H2,1H3;5-8H,1-4H2/q;+1.
What are the key properties of 1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium?
1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium has a molecular weight of 307.30 g/mol, XLogP of 0.04, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium is sourced from PubChem (CID 174332580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).