2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol

C19H12FNOS — CID 135981534

IUPAC2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol
SMILESOc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C19H12FNOS/c20-14-8-5-12(6-9-14)13-7-10-17(22)15(11-13)19-21-16-3-1-2-4-18(16)23-19/h1-11,22H
InChIKeyRDGOKZIPAXUACV-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.47
Rot. Bonds2

About 2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol

2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol (PubChem CID 135981534) has the molecular formula C19H12FNOS and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol
PubChem CID135981534
Molecular FormulaC19H12FNOS
Molecular Weight321.38 g/mol
Exact Mass321.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol
SMILESOc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C19H12FNOS/c20-14-8-5-12(6-9-14)13-7-10-17(22)15(11-13)19-21-16-3-1-2-4-18(16)23-19/h1-11,22H
InChIKeyRDGOKZIPAXUACV-UHFFFAOYSA-N
XLogP5.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.47
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-(4-fluorophenyl)phenol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol (CID 135981534) is 2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol is Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol?
The InChIKey is RDGOKZIPAXUACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNOS/c20-14-8-5-12(6-9-14)13-7-10-17(22)15(11-13)19-21-16-3-1-2-4-18(16)23-19/h1-11,22H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol?
2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol has a molecular weight of 321.38 g/mol, XLogP of 5.47, 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-(4-fluorophenyl)phenol is sourced from PubChem (CID 135981534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).