(3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide

C33H34BrO5P — CID 162150916

IUPAC(3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide
SMILESC.OCc1cc(O)cc(O)c1.Oc1cc(O)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Br-]
InChIInChI=1S/C25H21O2P.C7H8O3.CH4.BrH/c26-21-16-20(17-22(27)18-21)19-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;8-4-5-1-6(9)3-7(10)2-5;;/h1-18H,19H2,(H-,26,27);1-3,8-10H,4H2;1H4;1H
InChIKeyMODOFALTSLKBSG-UHFFFAOYSA-N
MW621.51 g/mol
LogP2.82
Rot. Bonds6

About (3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide

(3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide (PubChem CID 162150916) has the molecular formula C33H34BrO5P and a molecular weight of 621.51 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide
PubChem CID162150916
Molecular FormulaC33H34BrO5P
Molecular Weight621.51 g/mol
Exact Mass620.13
IUPAC Name(3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide
SMILESC.OCc1cc(O)cc(O)c1.Oc1cc(O)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Br-]
InChIInChI=1S/C25H21O2P.C7H8O3.CH4.BrH/c26-21-16-20(17-22(27)18-21)19-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;8-4-5-1-6(9)3-7(10)2-5;;/h1-18H,19H2,(H-,26,27);1-3,8-10H,4H2;1H4;1H
InChIKeyMODOFALTSLKBSG-UHFFFAOYSA-N
XLogP2.82
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.51
LogP ≤ 52.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide 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

bromomethane;3-(hydroxymethyl)phenol;(3-hydroxyphenyl)methyl-triphenylphosphanium;bromide
CID 160807676
[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium
CID 132542561
triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide
CID 22385338
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
5-(hydroxymethyl)benzene-1,3-diol;propane
CID 171649400
hydroxymethyl(triphenyl)phosphanium bromide
CID 18970177
3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethyl(triphenyl)phosphanium
CID 88650870
triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
CID 11051135
[3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide
CID 45043532

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide?
The IUPAC name of (3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide (CID 162150916) is (3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide.
What is the SMILES notation for (3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide?
The canonical SMILES for (3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide is C.OCc1cc(O)cc(O)c1.Oc1cc(O)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Br-].
What is the InChIKey of (3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide?
The InChIKey is MODOFALTSLKBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21O2P.C7H8O3.CH4.BrH/c26-21-16-20(17-22(27)18-21)19-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;8-4-5-1-6(9)3-7(10)2-5;;/h1-18H,19H2,(H-,26,27);1-3,8-10H,4H2;1H4;1H.
What are the key properties of (3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide?
(3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide has a molecular weight of 621.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide is sourced from PubChem (CID 162150916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).