aluminum;methoxy(phenyl)methanediol;trichloride

C8H10AlCl3O3 — CID 173442251

IUPACaluminum;methoxy(phenyl)methanediol;trichloride
SMILESCOC(O)(O)c1ccccc1.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C8H10O3.Al.3ClH/c1-11-8(9,10)7-5-3-2-4-6-7;;;;/h2-6,9-10H,1H3;;3*1H/q;+3;;;/p-3
InChIKeyYTGKJHLUOXZHMD-UHFFFAOYSA-K
MW287.51 g/mol
LogP-8.94
Rot. Bonds2

About aluminum;methoxy(phenyl)methanediol;trichloride

aluminum;methoxy(phenyl)methanediol;trichloride (PubChem CID 173442251) has the molecular formula C8H10AlCl3O3 and a molecular weight of 287.51 g/mol. Its IUPAC name is aluminum;methoxy(phenyl)methanediol;trichloride.

Molecular Properties

Compound Namealuminum;methoxy(phenyl)methanediol;trichloride
PubChem CID173442251
Molecular FormulaC8H10AlCl3O3
Molecular Weight287.51 g/mol
Exact Mass285.95
IUPAC Namealuminum;methoxy(phenyl)methanediol;trichloride
SMILESCOC(O)(O)c1ccccc1.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C8H10O3.Al.3ClH/c1-11-8(9,10)7-5-3-2-4-6-7;;;;/h2-6,9-10H,1H3;;3*1H/q;+3;;;/p-3
InChIKeyYTGKJHLUOXZHMD-UHFFFAOYSA-K
XLogP-8.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 5-8.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze aluminum;methoxy(phenyl)methanediol;trichloride 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

(1S)-1-methoxy-1-phenylethanol
CID 141414609
3-methoxy-2,3-diphenylbutan-2-ol
CID 3395875
[hydroperoxy(dimethoxy)methyl]benzene
CID 58623589
cyclopropyl-methoxy-phenylmethanol
CID 154503172
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
2-(1-methoxy-1-phenylethoxy)naphthalene
CID 139725280
CID 135045078
CID 135045078
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
(1-fluoro-1-methoxyethyl)benzene
CID 89466800
methoxy-phenyl-phenylmethoxymethanol
CID 168654991
3-methylbutoxy(phenyl)methanediol
CID 143532405

Frequently Asked Questions

What is the IUPAC name of aluminum;methoxy(phenyl)methanediol;trichloride?
The IUPAC name of aluminum;methoxy(phenyl)methanediol;trichloride (CID 173442251) is aluminum;methoxy(phenyl)methanediol;trichloride.
What is the SMILES notation for aluminum;methoxy(phenyl)methanediol;trichloride?
The canonical SMILES for aluminum;methoxy(phenyl)methanediol;trichloride is COC(O)(O)c1ccccc1.[Al+3].[Cl-].[Cl-].[Cl-].
What is the InChIKey of aluminum;methoxy(phenyl)methanediol;trichloride?
The InChIKey is YTGKJHLUOXZHMD-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H10O3.Al.3ClH/c1-11-8(9,10)7-5-3-2-4-6-7;;;;/h2-6,9-10H,1H3;;3*1H/q;+3;;;/p-3.
What are the key properties of aluminum;methoxy(phenyl)methanediol;trichloride?
aluminum;methoxy(phenyl)methanediol;trichloride has a molecular weight of 287.51 g/mol, XLogP of -8.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;methoxy(phenyl)methanediol;trichloride is sourced from PubChem (CID 173442251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).