2-(1,3-benzothiazol-2-yl)-4-phenylphenol

C19H13NOS — CID 135977741

IUPAC2-(1,3-benzothiazol-2-yl)-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C19H13NOS/c21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19/h1-12,21H
InChIKeyWJHZJGKMGRLVIG-UHFFFAOYSA-N
MW303.39 g/mol
LogP5.34
Rot. Bonds2

About 2-(1,3-benzothiazol-2-yl)-4-phenylphenol

2-(1,3-benzothiazol-2-yl)-4-phenylphenol (PubChem CID 135977741) has the molecular formula C19H13NOS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-4-phenylphenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-4-phenylphenol
PubChem CID135977741
Molecular FormulaC19H13NOS
Molecular Weight303.39 g/mol
Exact Mass303.07
IUPAC Name2-(1,3-benzothiazol-2-yl)-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C19H13NOS/c21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19/h1-12,21H
InChIKeyWJHZJGKMGRLVIG-UHFFFAOYSA-N
XLogP5.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-phenylphenol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-phenylphenol (CID 135977741) is 2-(1,3-benzothiazol-2-yl)-4-phenylphenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-4-phenylphenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-4-phenylphenol is Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-4-phenylphenol?
The InChIKey is WJHZJGKMGRLVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NOS/c21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19/h1-12,21H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-4-phenylphenol?
2-(1,3-benzothiazol-2-yl)-4-phenylphenol has a molecular weight of 303.39 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-4-phenylphenol is sourced from PubChem (CID 135977741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).