CID 147052016

C7H7AlO — CID 147052016

IUPAC—
SMILESOc1ccccc1C[Al]
InChIInChI=1S/C7H7O.Al/c1-6-4-2-3-5-7(6)8;/h2-5,8H,1H2;
InChIKeyFXSMNILHBITAFZ-UHFFFAOYSA-N
MW134.11 g/mol
LogP1.06
Rot. Bonds1

About CID 147052016

CID 147052016 (PubChem CID 147052016) has the molecular formula C7H7AlO and a molecular weight of 134.11 g/mol.

Molecular Properties

Compound NameCID 147052016
PubChem CID147052016
Molecular FormulaC7H7AlO
Molecular Weight134.11 g/mol
Exact Mass134.03
IUPAC Name—
SMILESOc1ccccc1C[Al]
InChIInChI=1S/C7H7O.Al/c1-6-4-2-3-5-7(6)8;/h2-5,8H,1H2;
InChIKeyFXSMNILHBITAFZ-UHFFFAOYSA-N
XLogP1.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 147052016?
The IUPAC name of CID 147052016 (CID 147052016) is not available.
What is the SMILES notation for CID 147052016?
The canonical SMILES for CID 147052016 is Oc1ccccc1C[Al].
What is the InChIKey of CID 147052016?
The InChIKey is FXSMNILHBITAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.Al/c1-6-4-2-3-5-7(6)8;/h2-5,8H,1H2;.
What are the key properties of CID 147052016?
CID 147052016 has a molecular weight of 134.11 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147052016 is sourced from PubChem (CID 147052016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).