aluminum;phenol;phosphate;hydrate

C12H14AlO7P — CID 175894244

IUPACaluminum;phenol;phosphate;hydrate
SMILESO.O=P([O-])([O-])[O-].Oc1ccccc1.Oc1ccccc1.[Al+3]
InChIInChI=1S/2C6H6O.Al.H3O4P.H2O/c2*7-6-4-2-1-3-5-6;;1-5(2,3)4;/h2*1-5,7H;;(H3,1,2,3,4);1H2/q;;+3;;/p-3
InChIKeyPTWOVZXNPSPVQT-UHFFFAOYSA-K
MW328.19 g/mol
LogP-1.25
Rot. Bonds

About aluminum;phenol;phosphate;hydrate

aluminum;phenol;phosphate;hydrate (PubChem CID 175894244) has the molecular formula C12H14AlO7P and a molecular weight of 328.19 g/mol. Its IUPAC name is aluminum;phenol;phosphate;hydrate.

Molecular Properties

Compound Namealuminum;phenol;phosphate;hydrate
PubChem CID175894244
Molecular FormulaC12H14AlO7P
Molecular Weight328.19 g/mol
Exact Mass328.03
IUPAC Namealuminum;phenol;phosphate;hydrate
SMILESO.O=P([O-])([O-])[O-].Oc1ccccc1.Oc1ccccc1.[Al+3]
InChIInChI=1S/2C6H6O.Al.H3O4P.H2O/c2*7-6-4-2-1-3-5-6;;1-5(2,3)4;/h2*1-5,7H;;(H3,1,2,3,4);1H2/q;;+3;;/p-3
InChIKeyPTWOVZXNPSPVQT-UHFFFAOYSA-K
XLogP-1.25
TPSA158.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze aluminum;phenol;phosphate;hydrate 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

phenol;phosphoric acid
CID 157339539
aluminum phenol
CID 19023057
benzene;formaldehyde;phenol;hydrate
CID 174789223
molecular oxygen;phenol
CID 141080591
phenol;bis(yttrium);dihydrate
CID 168770922
methylphosphonic acid;phenol
CID 175231709
carbonic acid;phenol;phosphoric acid
CID 70560640
phenol;bis(yttrium)
CID 59089942
phenol;tantalum
CID 19915613
phenol;phosphane
CID 159689182
argon;phenol
CID 159678450
molybdenum;phenol
CID 154246724

Frequently Asked Questions

What is the IUPAC name of aluminum;phenol;phosphate;hydrate?
The IUPAC name of aluminum;phenol;phosphate;hydrate (CID 175894244) is aluminum;phenol;phosphate;hydrate.
What is the SMILES notation for aluminum;phenol;phosphate;hydrate?
The canonical SMILES for aluminum;phenol;phosphate;hydrate is O.O=P([O-])([O-])[O-].Oc1ccccc1.Oc1ccccc1.[Al+3].
What is the InChIKey of aluminum;phenol;phosphate;hydrate?
The InChIKey is PTWOVZXNPSPVQT-UHFFFAOYSA-K. The full InChI is InChI=1S/2C6H6O.Al.H3O4P.H2O/c2*7-6-4-2-1-3-5-6;;1-5(2,3)4;/h2*1-5,7H;;(H3,1,2,3,4);1H2/q;;+3;;/p-3.
What are the key properties of aluminum;phenol;phosphate;hydrate?
aluminum;phenol;phosphate;hydrate has a molecular weight of 328.19 g/mol, XLogP of -1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;phenol;phosphate;hydrate is sourced from PubChem (CID 175894244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).