3-[1-(4-fluorophenyl)indazol-5-yl]phenol

C19H13FN2O — CID 46831397

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]phenol
SMILESOc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C19H13FN2O/c20-16-5-7-17(8-6-16)22-19-9-4-14(10-15(19)12-21-22)13-2-1-3-18(23)11-13/h1-12,23H
InChIKeyWMFVCPSRBAMYCG-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.54
Rot. Bonds2

About 3-[1-(4-fluorophenyl)indazol-5-yl]phenol

3-[1-(4-fluorophenyl)indazol-5-yl]phenol (PubChem CID 46831397) has the molecular formula C19H13FN2O and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]phenol.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]phenol
PubChem CID46831397
Molecular FormulaC19H13FN2O
Molecular Weight304.32 g/mol
Exact Mass304.10
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]phenol
SMILESOc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C19H13FN2O/c20-16-5-7-17(8-6-16)22-19-9-4-14(10-15(19)12-21-22)13-2-1-3-18(23)11-13/h1-12,23H
InChIKeyWMFVCPSRBAMYCG-UHFFFAOYSA-N
XLogP4.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]phenol?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]phenol (CID 46831397) is 3-[1-(4-fluorophenyl)indazol-5-yl]phenol.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]phenol?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]phenol is Oc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]phenol?
The InChIKey is WMFVCPSRBAMYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O/c20-16-5-7-17(8-6-16)22-19-9-4-14(10-15(19)12-21-22)13-2-1-3-18(23)11-13/h1-12,23H.
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]phenol?
3-[1-(4-fluorophenyl)indazol-5-yl]phenol has a molecular weight of 304.32 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]phenol is sourced from PubChem (CID 46831397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).