CID 174463156

C12H14AlO2 — CID 174463156

IUPAC—
SMILESCC(=O)CCCC(=O)[Al]c1ccccc1
InChIInChI=1S/C6H9O2.C6H5.Al/c1-6(8)4-2-3-5-7;1-2-4-6-5-3-1;/h2-4H2,1H3;1-5H;
InChIKeyZCLSWBIXPOCZCN-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.30
Rot. Bonds6

About CID 174463156

CID 174463156 (PubChem CID 174463156) has the molecular formula C12H14AlO2 and a molecular weight of 217.22 g/mol.

Molecular Properties

Compound NameCID 174463156
PubChem CID174463156
Molecular FormulaC12H14AlO2
Molecular Weight217.22 g/mol
Exact Mass217.08
IUPAC Name—
SMILESCC(=O)CCCC(=O)[Al]c1ccccc1
InChIInChI=1S/C6H9O2.C6H5.Al/c1-6(8)4-2-3-5-7;1-2-4-6-5-3-1;/h2-4H2,1H3;1-5H;
InChIKeyZCLSWBIXPOCZCN-UHFFFAOYSA-N
XLogP1.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 174463156 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

5-phenylpentan-2-one
CID 16701
1-phenylheptane-1,6-dione
CID 11333176
1-phenyloctadecane-1,17-dione
CID 70545901
1-phenyldodecane-1,11-dione
CID 13147766
1-phenyldecane-2,9-dione
CID 146832793
benzoic acid;octan-2-one
CID 174815510
7-phenylhept-6-yn-2-one
CID 11084575
N-fluoro-8-oxo-N-phenylnonanamide
CID 174449894
N-(4-oxopentyl)benzamide
CID 10798281
7-phenylhept-6-en-2-one
CID 582607
1-(5-oxohexyl)-3-propylbenzimidazol-2-one
CID 62024547
5-nitropentan-2-one;triphenylphosphane;hydrobromide
CID 173323779

Frequently Asked Questions

What is the IUPAC name of CID 174463156?
The IUPAC name of CID 174463156 (CID 174463156) is not available.
What is the SMILES notation for CID 174463156?
The canonical SMILES for CID 174463156 is CC(=O)CCCC(=O)[Al]c1ccccc1.
What is the InChIKey of CID 174463156?
The InChIKey is ZCLSWBIXPOCZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O2.C6H5.Al/c1-6(8)4-2-3-5-7;1-2-4-6-5-3-1;/h2-4H2,1H3;1-5H;.
What are the key properties of CID 174463156?
CID 174463156 has a molecular weight of 217.22 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174463156 is sourced from PubChem (CID 174463156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).