CID 21351067

C19H19AlNO2 — CID 21351067

IUPAC—
SMILESCc1ccc2cccc(O[Al]Oc3c(C)ccc(C)c3C)c2n1
InChIInChI=1S/C10H9NO.C9H12O.Al/c1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-6-4-5-7(2)9(10)8(6)3;/h2-6,12H,1H3;4-5,10H,1-3H3;/q;;+2/p-2
InChIKeyBZYUCCBLNMIJQC-UHFFFAOYSA-L
MW320.35 g/mol
LogP4.46
Rot. Bonds4

About CID 21351067

CID 21351067 (PubChem CID 21351067) has the molecular formula C19H19AlNO2 and a molecular weight of 320.35 g/mol.

Molecular Properties

Compound NameCID 21351067
PubChem CID21351067
Molecular FormulaC19H19AlNO2
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name—
SMILESCc1ccc2cccc(O[Al]Oc3c(C)ccc(C)c3C)c2n1
InChIInChI=1S/C10H9NO.C9H12O.Al/c1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-6-4-5-7(2)9(10)8(6)3;/h2-6,12H,1H3;4-5,10H,1-3H3;/q;;+2/p-2
InChIKeyBZYUCCBLNMIJQC-UHFFFAOYSA-L
XLogP4.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 21351067?
The IUPAC name of CID 21351067 (CID 21351067) is not available.
What is the SMILES notation for CID 21351067?
The canonical SMILES for CID 21351067 is Cc1ccc2cccc(O[Al]Oc3c(C)ccc(C)c3C)c2n1.
What is the InChIKey of CID 21351067?
The InChIKey is BZYUCCBLNMIJQC-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9NO.C9H12O.Al/c1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-6-4-5-7(2)9(10)8(6)3;/h2-6,12H,1H3;4-5,10H,1-3H3;/q;;+2/p-2.
What are the key properties of CID 21351067?
CID 21351067 has a molecular weight of 320.35 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21351067 is sourced from PubChem (CID 21351067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).