2-fluoro-4-(4-methoxyindazol-1-yl)phenol

C14H11FN2O2 — CID 71066956

IUPAC2-fluoro-4-(4-methoxyindazol-1-yl)phenol
SMILESCOc1cccc2c1cnn2-c1ccc(O)c(F)c1
InChIInChI=1S/C14H11FN2O2/c1-19-14-4-2-3-12-10(14)8-16-17(12)9-5-6-13(18)11(15)7-9/h2-8,18H,1H3
InChIKeyIHSXJGQJWSZMSL-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.88
Rot. Bonds2

About 2-fluoro-4-(4-methoxyindazol-1-yl)phenol

2-fluoro-4-(4-methoxyindazol-1-yl)phenol (PubChem CID 71066956) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-fluoro-4-(4-methoxyindazol-1-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(4-methoxyindazol-1-yl)phenol
PubChem CID71066956
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name2-fluoro-4-(4-methoxyindazol-1-yl)phenol
SMILESCOc1cccc2c1cnn2-c1ccc(O)c(F)c1
InChIInChI=1S/C14H11FN2O2/c1-19-14-4-2-3-12-10(14)8-16-17(12)9-5-6-13(18)11(15)7-9/h2-8,18H,1H3
InChIKeyIHSXJGQJWSZMSL-UHFFFAOYSA-N
XLogP2.88
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methoxyindazol-1-yl)phenol?
The IUPAC name of 2-fluoro-4-(4-methoxyindazol-1-yl)phenol (CID 71066956) is 2-fluoro-4-(4-methoxyindazol-1-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(4-methoxyindazol-1-yl)phenol?
The canonical SMILES for 2-fluoro-4-(4-methoxyindazol-1-yl)phenol is COc1cccc2c1cnn2-c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(4-methoxyindazol-1-yl)phenol?
The InChIKey is IHSXJGQJWSZMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-19-14-4-2-3-12-10(14)8-16-17(12)9-5-6-13(18)11(15)7-9/h2-8,18H,1H3.
What are the key properties of 2-fluoro-4-(4-methoxyindazol-1-yl)phenol?
2-fluoro-4-(4-methoxyindazol-1-yl)phenol has a molecular weight of 258.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methoxyindazol-1-yl)phenol is sourced from PubChem (CID 71066956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).