bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium

C34H34AlO6+ — CID 21416898

IUPACbis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium
SMILESCCCC(C(=O)O[Al+]OC(=O)C(CCC)c1cccc(Oc2ccccc2)c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/2C17H18O3.Al/c2*1-2-7-16(17(18)19)13-8-6-11-15(12-13)20-14-9-4-3-5-10-14;/h2*3-6,8-12,16H,2,7H2,1H3,(H,18,19);/q;;+3/p-2
InChIKeyBISASRYTDKDPIQ-UHFFFAOYSA-L
MW565.62 g/mol
LogP8.36
Rot. Bonds14

About bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium

bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium (PubChem CID 21416898) has the molecular formula C34H34AlO6+ and a molecular weight of 565.62 g/mol. Its IUPAC name is bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium.

Molecular Properties

Compound Namebis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium
PubChem CID21416898
Molecular FormulaC34H34AlO6+
Molecular Weight565.62 g/mol
Exact Mass565.22
IUPAC Namebis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium
SMILESCCCC(C(=O)O[Al+]OC(=O)C(CCC)c1cccc(Oc2ccccc2)c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/2C17H18O3.Al/c2*1-2-7-16(17(18)19)13-8-6-11-15(12-13)20-14-9-4-3-5-10-14;/h2*3-6,8-12,16H,2,7H2,1H3,(H,18,19);/q;;+3/p-2
InChIKeyBISASRYTDKDPIQ-UHFFFAOYSA-L
XLogP8.36
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.62
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium 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-(3-phenoxyphenyl)butanoic acid
CID 69314878
2-(3-phenoxyphenyl)heptanoyloxy 2-(3-phenoxyphenyl)heptaneperoxoate
CID 88828312
2-(3-aminophenyl)pentanoic acid
CID 119088607
3,3,3-trideuterio-2-(3-phenoxyphenyl)(313C)propanoic acid
CID 76974283
N-ethoxy-2-(3-phenoxyphenyl)propanamide
CID 46190731
2-chloro-2-(3-phenoxyphenyl)acetamide
CID 55047576
2-(3-propoxyphenyl)butanoic acid
CID 54432962
[cyano-(3-phenoxyphenyl)methyl] 2-propan-2-ylpentanoate
CID 71386879
1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate
CID 129318698
sulfanyl 2-phenylpentanoate
CID 174681002
dimethylamino 2-(3-phenoxyphenyl)propanoate
CID 174905214
[(R)-cyano-(3-phenoxyphenyl)methyl] butanoate
CID 11266404

Frequently Asked Questions

What is the IUPAC name of bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium?
The IUPAC name of bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium (CID 21416898) is bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium.
What is the SMILES notation for bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium?
The canonical SMILES for bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium is CCCC(C(=O)O[Al+]OC(=O)C(CCC)c1cccc(Oc2ccccc2)c1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium?
The InChIKey is BISASRYTDKDPIQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H18O3.Al/c2*1-2-7-16(17(18)19)13-8-6-11-15(12-13)20-14-9-4-3-5-10-14;/h2*3-6,8-12,16H,2,7H2,1H3,(H,18,19);/q;;+3/p-2.
What are the key properties of bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium?
bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium has a molecular weight of 565.62 g/mol, XLogP of 8.36, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium is sourced from PubChem (CID 21416898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).