CID 88965852

C8H4BIO — CID 88965852

IUPAC—
SMILES[B]c1ccc2occ(I)c2c1
InChIInChI=1S/C8H4BIO/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H
InChIKeyOFVQGVRHWFPDTD-UHFFFAOYSA-N
MW253.84 g/mol
LogP1.83
Rot. Bonds

About CID 88965852

CID 88965852 (PubChem CID 88965852) has the molecular formula C8H4BIO and a molecular weight of 253.84 g/mol.

Molecular Properties

Compound NameCID 88965852
PubChem CID88965852
Molecular FormulaC8H4BIO
Molecular Weight253.84 g/mol
Exact Mass253.94
IUPAC Name—
SMILES[B]c1ccc2occ(I)c2c1
InChIInChI=1S/C8H4BIO/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H
InChIKeyOFVQGVRHWFPDTD-UHFFFAOYSA-N
XLogP1.83
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.84
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88965852?
The IUPAC name of CID 88965852 (CID 88965852) is not available.
What is the SMILES notation for CID 88965852?
The canonical SMILES for CID 88965852 is [B]c1ccc2occ(I)c2c1.
What is the InChIKey of CID 88965852?
The InChIKey is OFVQGVRHWFPDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BIO/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H.
What are the key properties of CID 88965852?
CID 88965852 has a molecular weight of 253.84 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88965852 is sourced from PubChem (CID 88965852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).