3-(4-indazol-2-ylphenyl)propanoic acid

C16H14N2O2 — CID 3067332

IUPAC3-(4-indazol-2-ylphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(-n2cc3ccccc3n2)cc1
InChIInChI=1S/C16H14N2O2/c19-16(20)10-7-12-5-8-14(9-6-12)18-11-13-3-1-2-4-15(13)17-18/h1-6,8-9,11H,7,10H2,(H,19,20)
InChIKeyKGHGHHMJJVKOTJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.04
Rot. Bonds4

About 3-(4-indazol-2-ylphenyl)propanoic acid

3-(4-indazol-2-ylphenyl)propanoic acid (PubChem CID 3067332) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(4-indazol-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-indazol-2-ylphenyl)propanoic acid
PubChem CID3067332
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(4-indazol-2-ylphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(-n2cc3ccccc3n2)cc1
InChIInChI=1S/C16H14N2O2/c19-16(20)10-7-12-5-8-14(9-6-12)18-11-13-3-1-2-4-15(13)17-18/h1-6,8-9,11H,7,10H2,(H,19,20)
InChIKeyKGHGHHMJJVKOTJ-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-indazol-2-ylphenyl)propanoic acid?
The IUPAC name of 3-(4-indazol-2-ylphenyl)propanoic acid (CID 3067332) is 3-(4-indazol-2-ylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-indazol-2-ylphenyl)propanoic acid?
The canonical SMILES for 3-(4-indazol-2-ylphenyl)propanoic acid is O=C(O)CCc1ccc(-n2cc3ccccc3n2)cc1.
What is the InChIKey of 3-(4-indazol-2-ylphenyl)propanoic acid?
The InChIKey is KGHGHHMJJVKOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(20)10-7-12-5-8-14(9-6-12)18-11-13-3-1-2-4-15(13)17-18/h1-6,8-9,11H,7,10H2,(H,19,20).
What are the key properties of 3-(4-indazol-2-ylphenyl)propanoic acid?
3-(4-indazol-2-ylphenyl)propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-indazol-2-ylphenyl)propanoic acid is sourced from PubChem (CID 3067332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).