2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol

C11H11NO2S — CID 838952

IUPAC2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol
SMILESCOc1cc(-c2csc(C)n2)ccc1O
InChIInChI=1S/C11H11NO2S/c1-7-12-9(6-15-7)8-3-4-10(13)11(5-8)14-2/h3-6,13H,1-2H3
InChIKeyNYTLHCVKQWFZCD-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.83
Rot. Bonds2

About 2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol

2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol (PubChem CID 838952) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol
PubChem CID838952
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol
SMILESCOc1cc(-c2csc(C)n2)ccc1O
InChIInChI=1S/C11H11NO2S/c1-7-12-9(6-15-7)8-3-4-10(13)11(5-8)14-2/h3-6,13H,1-2H3
InChIKeyNYTLHCVKQWFZCD-UHFFFAOYSA-N
XLogP2.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol?
The IUPAC name of 2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol (CID 838952) is 2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol?
The canonical SMILES for 2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol is COc1cc(-c2csc(C)n2)ccc1O.
What is the InChIKey of 2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol?
The InChIKey is NYTLHCVKQWFZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-12-9(6-15-7)8-3-4-10(13)11(5-8)14-2/h3-6,13H,1-2H3.
What are the key properties of 2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol?
2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol has a molecular weight of 221.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 838952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).