[2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol

C11H9IN2O2 — CID 116649213

IUPAC[2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol
SMILESOCc1ccccc1Oc1ncc(I)cn1
InChIInChI=1S/C11H9IN2O2/c12-9-5-13-11(14-6-9)16-10-4-2-1-3-8(10)7-15/h1-6,15H,7H2
InChIKeyHMYMXXBTBGIBCQ-UHFFFAOYSA-N
MW328.11 g/mol
LogP2.37
Rot. Bonds3

About [2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol

[2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol (PubChem CID 116649213) has the molecular formula C11H9IN2O2 and a molecular weight of 328.11 g/mol. Its IUPAC name is [2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol
PubChem CID116649213
Molecular FormulaC11H9IN2O2
Molecular Weight328.11 g/mol
Exact Mass327.97
IUPAC Name[2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol
SMILESOCc1ccccc1Oc1ncc(I)cn1
InChIInChI=1S/C11H9IN2O2/c12-9-5-13-11(14-6-9)16-10-4-2-1-3-8(10)7-15/h1-6,15H,7H2
InChIKeyHMYMXXBTBGIBCQ-UHFFFAOYSA-N
XLogP2.37
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol?
The IUPAC name of [2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol (CID 116649213) is [2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol.
What is the SMILES notation for [2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol?
The canonical SMILES for [2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol is OCc1ccccc1Oc1ncc(I)cn1.
What is the InChIKey of [2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol?
The InChIKey is HMYMXXBTBGIBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O2/c12-9-5-13-11(14-6-9)16-10-4-2-1-3-8(10)7-15/h1-6,15H,7H2.
What are the key properties of [2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol?
[2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol has a molecular weight of 328.11 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-iodopyrimidin-2-yl)oxyphenyl]methanol is sourced from PubChem (CID 116649213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).