CID 162428523

C6H5AlO2 — CID 162428523

IUPAC—
SMILESOc1ccc(O[Al])cc1
InChIInChI=1S/C6H6O2.Al/c7-5-1-2-6(8)4-3-5;/h1-4,7-8H;/q;+1/p-1
InChIKeyDRTIKCBWPBYYCD-UHFFFAOYSA-M
MW136.09 g/mol
LogP0.85
Rot. Bonds1

About CID 162428523

CID 162428523 (PubChem CID 162428523) has the molecular formula C6H5AlO2 and a molecular weight of 136.09 g/mol.

Molecular Properties

Compound NameCID 162428523
PubChem CID162428523
Molecular FormulaC6H5AlO2
Molecular Weight136.09 g/mol
Exact Mass136.01
IUPAC Name—
SMILESOc1ccc(O[Al])cc1
InChIInChI=1S/C6H6O2.Al/c7-5-1-2-6(8)4-3-5;/h1-4,7-8H;/q;+1/p-1
InChIKeyDRTIKCBWPBYYCD-UHFFFAOYSA-M
XLogP0.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 162428523?
The IUPAC name of CID 162428523 (CID 162428523) is not available.
What is the SMILES notation for CID 162428523?
The canonical SMILES for CID 162428523 is Oc1ccc(O[Al])cc1.
What is the InChIKey of CID 162428523?
The InChIKey is DRTIKCBWPBYYCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O2.Al/c7-5-1-2-6(8)4-3-5;/h1-4,7-8H;/q;+1/p-1.
What are the key properties of CID 162428523?
CID 162428523 has a molecular weight of 136.09 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162428523 is sourced from PubChem (CID 162428523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).