CID 174376372

C11H18AlO4P — CID 174376372

IUPAC—
SMILESCc1ccc([Al])c(C(C)(C)C)c1.O=P(O)(O)O
InChIInChI=1S/C11H15.Al.H3O4P/c1-9-6-5-7-10(8-9)11(2,3)4;;1-5(2,3)4/h5-6,8H,1-4H3;;(H3,1,2,3,4)
InChIKeyKUDZSUOUSRSDEN-UHFFFAOYSA-N
MW272.22 g/mol
LogP1.16
Rot. Bonds

About CID 174376372

CID 174376372 (PubChem CID 174376372) has the molecular formula C11H18AlO4P and a molecular weight of 272.22 g/mol.

Molecular Properties

Compound NameCID 174376372
PubChem CID174376372
Molecular FormulaC11H18AlO4P
Molecular Weight272.22 g/mol
Exact Mass272.08
IUPAC Name—
SMILESCc1ccc([Al])c(C(C)(C)C)c1.O=P(O)(O)O
InChIInChI=1S/C11H15.Al.H3O4P/c1-9-6-5-7-10(8-9)11(2,3)4;;1-5(2,3)4/h5-6,8H,1-4H3;;(H3,1,2,3,4)
InChIKeyKUDZSUOUSRSDEN-UHFFFAOYSA-N
XLogP1.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 174376372 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-tert-butyl-1-iodo-4-methylbenzene
CID 146355198
2-tert-butyl-1-[(2-tert-butyl-4-methylphenoxy)-(2-tert-butyl-4-methylphenyl)phosphoryl]oxy-4-methylbenzene
CID 139894478
bis(2-tert-butyl-4-methylphenol);dichlorozirconium
CID 21185304
[4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid
CID 88685317
(2-tert-butyl-4-methylphenyl) dihydrogen phosphite
CID 19741799
2-tert-butyl-1,4-dimethylbenzene;pentane
CID 142249583
(2-tert-butyl-4-methylphenyl) 2-methylprop-2-enoate
CID 19934094
1-buta-1,3-dien-2-yl-2-tert-butyl-4-methylbenzene
CID 144579050
1,3-ditert-butyl-2-dimethylphosphoryloxy-5-methylbenzene
CID 20731092
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249

Frequently Asked Questions

What is the IUPAC name of CID 174376372?
The IUPAC name of CID 174376372 (CID 174376372) is not available.
What is the SMILES notation for CID 174376372?
The canonical SMILES for CID 174376372 is Cc1ccc([Al])c(C(C)(C)C)c1.O=P(O)(O)O.
What is the InChIKey of CID 174376372?
The InChIKey is KUDZSUOUSRSDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15.Al.H3O4P/c1-9-6-5-7-10(8-9)11(2,3)4;;1-5(2,3)4/h5-6,8H,1-4H3;;(H3,1,2,3,4).
What are the key properties of CID 174376372?
CID 174376372 has a molecular weight of 272.22 g/mol, XLogP of 1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174376372 is sourced from PubChem (CID 174376372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).