2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol

C18H12FN3O — CID 175240788

IUPAC2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol
SMILESOc1ccccc1-c1ccc(-n2nc3ccc(F)cc3n2)cc1
InChIInChI=1S/C18H12FN3O/c19-13-7-10-16-17(11-13)21-22(20-16)14-8-5-12(6-9-14)15-3-1-2-4-18(15)23/h1-11,23H
InChIKeyHLGAORSQWATVBD-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.93
Rot. Bonds2

About 2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol

2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol (PubChem CID 175240788) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol.

Molecular Properties

Compound Name2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol
PubChem CID175240788
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol
SMILESOc1ccccc1-c1ccc(-n2nc3ccc(F)cc3n2)cc1
InChIInChI=1S/C18H12FN3O/c19-13-7-10-16-17(11-13)21-22(20-16)14-8-5-12(6-9-14)15-3-1-2-4-18(15)23/h1-11,23H
InChIKeyHLGAORSQWATVBD-UHFFFAOYSA-N
XLogP3.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol?
The IUPAC name of 2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol (CID 175240788) is 2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol.
What is the SMILES notation for 2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol?
The canonical SMILES for 2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol is Oc1ccccc1-c1ccc(-n2nc3ccc(F)cc3n2)cc1.
What is the InChIKey of 2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol?
The InChIKey is HLGAORSQWATVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c19-13-7-10-16-17(11-13)21-22(20-16)14-8-5-12(6-9-14)15-3-1-2-4-18(15)23/h1-11,23H.
What are the key properties of 2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol?
2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol has a molecular weight of 305.31 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluorobenzotriazol-2-yl)phenyl]phenol is sourced from PubChem (CID 175240788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).