2-(1,3-benzothiazol-2-ylmethoxy)phenol

C14H11NO2S — CID 761196

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)phenol
SMILESOc1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C14H11NO2S/c16-11-6-2-3-7-12(11)17-9-14-15-10-5-1-4-8-13(10)18-14/h1-8,16H,9H2
InChIKeyRBWODSZEUGEGOO-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.58
Rot. Bonds3

About 2-(1,3-benzothiazol-2-ylmethoxy)phenol

2-(1,3-benzothiazol-2-ylmethoxy)phenol (PubChem CID 761196) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)phenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)phenol
PubChem CID761196
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)phenol
SMILESOc1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C14H11NO2S/c16-11-6-2-3-7-12(11)17-9-14-15-10-5-1-4-8-13(10)18-14/h1-8,16H,9H2
InChIKeyRBWODSZEUGEGOO-UHFFFAOYSA-N
XLogP3.58
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzothiazol-2-ylmethoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)phenol?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)phenol (CID 761196) is 2-(1,3-benzothiazol-2-ylmethoxy)phenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)phenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)phenol is Oc1ccccc1OCc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)phenol?
The InChIKey is RBWODSZEUGEGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c16-11-6-2-3-7-12(11)17-9-14-15-10-5-1-4-8-13(10)18-14/h1-8,16H,9H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)phenol?
2-(1,3-benzothiazol-2-ylmethoxy)phenol has a molecular weight of 257.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)phenol is sourced from PubChem (CID 761196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).