2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol

C16H15NO2S — CID 107713086

IUPAC2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol
SMILESOCCc1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C16H15NO2S/c18-10-9-12-5-1-3-7-14(12)19-11-16-17-13-6-2-4-8-15(13)20-16/h1-8,18H,9-11H2
InChIKeyMBFQHXYWZUKXKN-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.41
Rot. Bonds5

About 2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol

2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol (PubChem CID 107713086) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol
PubChem CID107713086
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol
SMILESOCCc1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C16H15NO2S/c18-10-9-12-5-1-3-7-14(12)19-11-16-17-13-6-2-4-8-15(13)20-16/h1-8,18H,9-11H2
InChIKeyMBFQHXYWZUKXKN-UHFFFAOYSA-N
XLogP3.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile
CID 2714599
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-benzothiazole
CID 104631366
[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 104631328
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157
[2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol
CID 104631288
[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 115761235
(1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine
CID 104630959
2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde
CID 104631097
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 51208011
4-[2-(1,3-benzothiazol-2-ylmethoxy)-N-hydroxyanilino]-4-oxobutanoic acid
CID 23318276
4-(1,3-benzothiazol-2-ylmethoxy)-3-fluorobenzoic acid
CID 107689778
3-amino-4-(1,3-benzothiazol-2-ylmethoxy)benzoic acid
CID 104631513

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of 2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol (CID 107713086) is 2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol is OCCc1ccccc1OCc1nc2ccccc2s1.
What is the InChIKey of 2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol?
The InChIKey is MBFQHXYWZUKXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-10-9-12-5-1-3-7-14(12)19-11-16-17-13-6-2-4-8-15(13)20-16/h1-8,18H,9-11H2.
What are the key properties of 2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol?
2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol has a molecular weight of 285.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 107713086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).