(7-iodo-1,3-benzoxazol-2-yl)methanol

C8H6INO2 — CID 131052024

IUPAC(7-iodo-1,3-benzoxazol-2-yl)methanol
SMILESOCc1nc2cccc(I)c2o1
InChIInChI=1S/C8H6INO2/c9-5-2-1-3-6-8(5)12-7(4-11)10-6/h1-3,11H,4H2
InChIKeyKUCYOVSCUKJVIJ-UHFFFAOYSA-N
MW275.04 g/mol
LogP1.92
Rot. Bonds1

About (7-iodo-1,3-benzoxazol-2-yl)methanol

(7-iodo-1,3-benzoxazol-2-yl)methanol (PubChem CID 131052024) has the molecular formula C8H6INO2 and a molecular weight of 275.04 g/mol. Its IUPAC name is (7-iodo-1,3-benzoxazol-2-yl)methanol.

Molecular Properties

Compound Name(7-iodo-1,3-benzoxazol-2-yl)methanol
PubChem CID131052024
Molecular FormulaC8H6INO2
Molecular Weight275.04 g/mol
Exact Mass274.94
IUPAC Name(7-iodo-1,3-benzoxazol-2-yl)methanol
SMILESOCc1nc2cccc(I)c2o1
InChIInChI=1S/C8H6INO2/c9-5-2-1-3-6-8(5)12-7(4-11)10-6/h1-3,11H,4H2
InChIKeyKUCYOVSCUKJVIJ-UHFFFAOYSA-N
XLogP1.92
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.04
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-1,3-benzoxazol-7-ol
CID 130894821
(7-chloro-1,3-benzoxazol-2-yl)methanol
CID 130132807
[7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol
CID 131092416
2-bromo-1-[2-(hydroxymethyl)-1,3-benzoxazol-7-yl]ethanone
CID 131319792
7-iodo-1,3-benzoxazole-2-carbonitrile
CID 130938767
(2-benzyl-1,3-benzoxazol-7-yl)methanol
CID 76851596
7-iodo-1,3-benzoxazole-2-sulfonyl chloride
CID 130952660
2-(iodomethyl)-1,3-benzoxazole-7-carbonitrile
CID 68572121
2-(aminomethyl)-1,3-benzoxazole-7-carboxamide
CID 118853991
2-ethyl-1,3-benzoxazol-7-amine
CID 28752253
(6-bromo-1,3-benzoxazol-2-yl)methanol
CID 119031268
7-chloro-2-ethyl-1,3-benzoxazole;ethane
CID 145422822

Frequently Asked Questions

What is the IUPAC name of (7-iodo-1,3-benzoxazol-2-yl)methanol?
The IUPAC name of (7-iodo-1,3-benzoxazol-2-yl)methanol (CID 131052024) is (7-iodo-1,3-benzoxazol-2-yl)methanol.
What is the SMILES notation for (7-iodo-1,3-benzoxazol-2-yl)methanol?
The canonical SMILES for (7-iodo-1,3-benzoxazol-2-yl)methanol is OCc1nc2cccc(I)c2o1.
What is the InChIKey of (7-iodo-1,3-benzoxazol-2-yl)methanol?
The InChIKey is KUCYOVSCUKJVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6INO2/c9-5-2-1-3-6-8(5)12-7(4-11)10-6/h1-3,11H,4H2.
What are the key properties of (7-iodo-1,3-benzoxazol-2-yl)methanol?
(7-iodo-1,3-benzoxazol-2-yl)methanol has a molecular weight of 275.04 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-iodo-1,3-benzoxazol-2-yl)methanol is sourced from PubChem (CID 131052024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).