(2-phenyl-1,3-selenazol-4-yl)methanol

C10H9NOSe — CID 12597085

IUPAC(2-phenyl-1,3-selenazol-4-yl)methanol
SMILESOCc1c[se]c(-c2ccccc2)n1
InChIInChI=1S/C10H9NOSe/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,7,12H,6H2
InChIKeyZEZYQOREAZAXRA-UHFFFAOYSA-N
MW238.15 g/mol
LogP1.30
Rot. Bonds2

About (2-phenyl-1,3-selenazol-4-yl)methanol

(2-phenyl-1,3-selenazol-4-yl)methanol (PubChem CID 12597085) has the molecular formula C10H9NOSe and a molecular weight of 238.15 g/mol. Its IUPAC name is (2-phenyl-1,3-selenazol-4-yl)methanol.

Molecular Properties

Compound Name(2-phenyl-1,3-selenazol-4-yl)methanol
PubChem CID12597085
Molecular FormulaC10H9NOSe
Molecular Weight238.15 g/mol
Exact Mass238.98
IUPAC Name(2-phenyl-1,3-selenazol-4-yl)methanol
SMILESOCc1c[se]c(-c2ccccc2)n1
InChIInChI=1S/C10H9NOSe/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,7,12H,6H2
InChIKeyZEZYQOREAZAXRA-UHFFFAOYSA-N
XLogP1.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-selenazol-4-yl)methanol?
The IUPAC name of (2-phenyl-1,3-selenazol-4-yl)methanol (CID 12597085) is (2-phenyl-1,3-selenazol-4-yl)methanol.
What is the SMILES notation for (2-phenyl-1,3-selenazol-4-yl)methanol?
The canonical SMILES for (2-phenyl-1,3-selenazol-4-yl)methanol is OCc1c[se]c(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-selenazol-4-yl)methanol?
The InChIKey is ZEZYQOREAZAXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOSe/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,7,12H,6H2.
What are the key properties of (2-phenyl-1,3-selenazol-4-yl)methanol?
(2-phenyl-1,3-selenazol-4-yl)methanol has a molecular weight of 238.15 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-selenazol-4-yl)methanol is sourced from PubChem (CID 12597085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).