CID 175667851

C10H11IOPd- — CID 175667851

IUPAC—
SMILES[CH2]C1(C)COc2ccccc21.[I-].[Pd]
InChIInChI=1S/C10H11O.HI.Pd/c1-10(2)7-11-9-6-4-3-5-8(9)10;;/h3-6H,1,7H2,2H3;1H;/p-1
InChIKeyRAVFOSRWMVKHQE-UHFFFAOYSA-M
MW380.52 g/mol
LogP-0.83
Rot. Bonds

About CID 175667851

CID 175667851 (PubChem CID 175667851) has the molecular formula C10H11IOPd- and a molecular weight of 380.52 g/mol.

Molecular Properties

Compound NameCID 175667851
PubChem CID175667851
Molecular FormulaC10H11IOPd-
Molecular Weight380.52 g/mol
Exact Mass379.89
IUPAC Name—
SMILES[CH2]C1(C)COc2ccccc21.[I-].[Pd]
InChIInChI=1S/C10H11O.HI.Pd/c1-10(2)7-11-9-6-4-3-5-8(9)10;;/h3-6H,1,7H2,2H3;1H;/p-1
InChIKeyRAVFOSRWMVKHQE-UHFFFAOYSA-M
XLogP-0.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175667851?
The IUPAC name of CID 175667851 (CID 175667851) is not available.
What is the SMILES notation for CID 175667851?
The canonical SMILES for CID 175667851 is [CH2]C1(C)COc2ccccc21.[I-].[Pd].
What is the InChIKey of CID 175667851?
The InChIKey is RAVFOSRWMVKHQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11O.HI.Pd/c1-10(2)7-11-9-6-4-3-5-8(9)10;;/h3-6H,1,7H2,2H3;1H;/p-1.
What are the key properties of CID 175667851?
CID 175667851 has a molecular weight of 380.52 g/mol, XLogP of -0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175667851 is sourced from PubChem (CID 175667851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).