2-(2-iodophenyl)propan-2-olate

C9H10IO- — CID 140938486

IUPAC2-(2-iodophenyl)propan-2-olate
SMILESCC(C)([O-])c1ccccc1I
InChIInChI=1S/C9H10IO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6H,1-2H3/q-1
InChIKeyNZLBBMLIDZUOQI-UHFFFAOYSA-N
MW261.08 g/mol
LogP1.89
Rot. Bonds1

About 2-(2-iodophenyl)propan-2-olate

2-(2-iodophenyl)propan-2-olate (PubChem CID 140938486) has the molecular formula C9H10IO- and a molecular weight of 261.08 g/mol. Its IUPAC name is 2-(2-iodophenyl)propan-2-olate.

Molecular Properties

Compound Name2-(2-iodophenyl)propan-2-olate
PubChem CID140938486
Molecular FormulaC9H10IO-
Molecular Weight261.08 g/mol
Exact Mass260.98
IUPAC Name2-(2-iodophenyl)propan-2-olate
SMILESCC(C)([O-])c1ccccc1I
InChIInChI=1S/C9H10IO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6H,1-2H3/q-1
InChIKeyNZLBBMLIDZUOQI-UHFFFAOYSA-N
XLogP1.89
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-2-iodobenzene
CID 637957
2-(2-iodophenyl)-2-methylpropanal
CID 117046923
tert-butyl 2-(2-iodophenyl)-2-methylpropanoate
CID 54286755
2-(2-iodophenyl)-2-methylbutanenitrile
CID 117047768
3-(2-iodophenyl)-2,4-dimethylpentan-3-ol
CID 11974474
4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol
CID 156763954
2-ethyl-2-(2-iodophenyl)butan-1-ol
CID 12072771
1,3,5-triiodo-2-[2-(2-iodophenyl)butan-2-yl]benzene
CID 174807574
1,2-diiodobenzene;tetrahydrofluoride
CID 174612997
CID 175472927
CID 175472927
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
2-[2-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 21264783

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)propan-2-olate?
The IUPAC name of 2-(2-iodophenyl)propan-2-olate (CID 140938486) is 2-(2-iodophenyl)propan-2-olate.
What is the SMILES notation for 2-(2-iodophenyl)propan-2-olate?
The canonical SMILES for 2-(2-iodophenyl)propan-2-olate is CC(C)([O-])c1ccccc1I.
What is the InChIKey of 2-(2-iodophenyl)propan-2-olate?
The InChIKey is NZLBBMLIDZUOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6H,1-2H3/q-1.
What are the key properties of 2-(2-iodophenyl)propan-2-olate?
2-(2-iodophenyl)propan-2-olate has a molecular weight of 261.08 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)propan-2-olate is sourced from PubChem (CID 140938486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).