CID 149049620

C14H8IO2- — CID 149049620

IUPAC—
SMILESO=C1[I-]C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H8IO2/c16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)15-13/h1-8H/q-1
InChIKeyOWNWWRDWPJOTQS-UHFFFAOYSA-N
MW335.12 g/mol
LogP-0.26
Rot. Bonds

About CID 149049620

CID 149049620 (PubChem CID 149049620) has the molecular formula C14H8IO2- and a molecular weight of 335.12 g/mol.

Molecular Properties

Compound NameCID 149049620
PubChem CID149049620
Molecular FormulaC14H8IO2-
Molecular Weight335.12 g/mol
Exact Mass334.96
IUPAC Name—
SMILESO=C1[I-]C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H8IO2/c16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)15-13/h1-8H/q-1
InChIKeyOWNWWRDWPJOTQS-UHFFFAOYSA-N
XLogP-0.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 149049620?
The IUPAC name of CID 149049620 (CID 149049620) is not available.
What is the SMILES notation for CID 149049620?
The canonical SMILES for CID 149049620 is O=C1[I-]C(=O)c2ccccc2-c2ccccc21.
What is the InChIKey of CID 149049620?
The InChIKey is OWNWWRDWPJOTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8IO2/c16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)15-13/h1-8H/q-1.
What are the key properties of CID 149049620?
CID 149049620 has a molecular weight of 335.12 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149049620 is sourced from PubChem (CID 149049620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).