1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium

C11H18O5P+ — CID 57229879

IUPAC1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium
SMILESCc1cccc(C)c1O[P+](O)(O)C(O)CCO
InChIInChI=1S/C11H18O5P/c1-8-4-3-5-9(2)11(8)16-17(14,15)10(13)6-7-12/h3-5,10,12-15H,6-7H2,1-2H3/q+1
InChIKeyZSLJHBYYPAZTDU-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.13
Rot. Bonds5

About 1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium

1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium (PubChem CID 57229879) has the molecular formula C11H18O5P+ and a molecular weight of 261.23 g/mol. Its IUPAC name is 1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium.

Molecular Properties

Compound Name1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium
PubChem CID57229879
Molecular FormulaC11H18O5P+
Molecular Weight261.23 g/mol
Exact Mass261.09
IUPAC Name1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium
SMILESCc1cccc(C)c1O[P+](O)(O)C(O)CCO
InChIInChI=1S/C11H18O5P/c1-8-4-3-5-9(2)11(8)16-17(14,15)10(13)6-7-12/h3-5,10,12-15H,6-7H2,1-2H3/q+1
InChIKeyZSLJHBYYPAZTDU-UHFFFAOYSA-N
XLogP1.13
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium 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

2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol
CID 71201573
3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol
CID 112612422
bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium
CID 6395773
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633561
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283597
1-[1-(2,6-dimethylphenoxy)ethylamino]propan-2-ol
CID 66937869
6-(2,6-dimethylphenoxy)hexan-3-ol
CID 106802636
2-[1-(2,6-dimethylphenoxy)ethylamino]propan-1-ol
CID 66938242
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol
CID 112717400

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium?
The IUPAC name of 1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium (CID 57229879) is 1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium.
What is the SMILES notation for 1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium?
The canonical SMILES for 1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium is Cc1cccc(C)c1O[P+](O)(O)C(O)CCO.
What is the InChIKey of 1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium?
The InChIKey is ZSLJHBYYPAZTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5P/c1-8-4-3-5-9(2)11(8)16-17(14,15)10(13)6-7-12/h3-5,10,12-15H,6-7H2,1-2H3/q+1.
What are the key properties of 1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium?
1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium has a molecular weight of 261.23 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium is sourced from PubChem (CID 57229879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).