CID 67824005

C14H8AlO2 — CID 67824005

IUPAC—
SMILESO=C1c2ccccc2C(=O)c2ccccc21.[Al]
InChIInChI=1S/C14H8O2.Al/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;/h1-8H;
InChIKeyFFMYFFXGZOFVFA-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.08
Rot. Bonds

About CID 67824005

CID 67824005 (PubChem CID 67824005) has the molecular formula C14H8AlO2 and a molecular weight of 235.20 g/mol.

Molecular Properties

Compound NameCID 67824005
PubChem CID67824005
Molecular FormulaC14H8AlO2
Molecular Weight235.20 g/mol
Exact Mass235.03
IUPAC Name—
SMILESO=C1c2ccccc2C(=O)c2ccccc21.[Al]
InChIInChI=1S/C14H8O2.Al/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;/h1-8H;
InChIKeyFFMYFFXGZOFVFA-UHFFFAOYSA-N
XLogP2.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 67824005?
The IUPAC name of CID 67824005 (CID 67824005) is not available.
What is the SMILES notation for CID 67824005?
The canonical SMILES for CID 67824005 is O=C1c2ccccc2C(=O)c2ccccc21.[Al].
What is the InChIKey of CID 67824005?
The InChIKey is FFMYFFXGZOFVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.Al/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;/h1-8H;.
What are the key properties of CID 67824005?
CID 67824005 has a molecular weight of 235.20 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67824005 is sourced from PubChem (CID 67824005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).