1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol

C13H15NO2S — CID 79823661

IUPAC1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol
SMILESCOCc1cccc(C(O)Cc2nccs2)c1
InChIInChI=1S/C13H15NO2S/c1-16-9-10-3-2-4-11(7-10)12(15)8-13-14-5-6-17-13/h2-7,12,15H,8-9H2,1H3
InChIKeyBZDQCMAMMFRBPH-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.57
Rot. Bonds5

About 1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol

1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 79823661) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol
PubChem CID79823661
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol
SMILESCOCc1cccc(C(O)Cc2nccs2)c1
InChIInChI=1S/C13H15NO2S/c1-16-9-10-3-2-4-11(7-10)12(15)8-13-14-5-6-17-13/h2-7,12,15H,8-9H2,1H3
InChIKeyBZDQCMAMMFRBPH-UHFFFAOYSA-N
XLogP2.57
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 79827482
2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 79824982
1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 106756289
1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001689
2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 79824429
3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol
CID 82928186
2-(2-fluoro-3-methoxyphenyl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 104793170
1-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115288
2-(2-chloro-5-fluorophenyl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 102617340
1-(3,5-difluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823901
1-(2-methylquinolin-6-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 105379140

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol (CID 79823661) is 1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol is COCc1cccc(C(O)Cc2nccs2)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is BZDQCMAMMFRBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-16-9-10-3-2-4-11(7-10)12(15)8-13-14-5-6-17-13/h2-7,12,15H,8-9H2,1H3.
What are the key properties of 1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol?
1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 249.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 79823661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).