4-(3-phenylindazol-1-yl)butanoic acid

C17H16N2O2 — CID 5307487

IUPAC4-(3-phenylindazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C17H16N2O2/c20-16(21)11-6-12-19-15-10-5-4-9-14(15)17(18-19)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,20,21)
InChIKeyUUKDWBQHMNJNMC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.57
Rot. Bonds5

About 4-(3-phenylindazol-1-yl)butanoic acid

4-(3-phenylindazol-1-yl)butanoic acid (PubChem CID 5307487) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(3-phenylindazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-phenylindazol-1-yl)butanoic acid
PubChem CID5307487
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(3-phenylindazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C17H16N2O2/c20-16(21)11-6-12-19-15-10-5-4-9-14(15)17(18-19)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,20,21)
InChIKeyUUKDWBQHMNJNMC-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylindazol-1-yl)butanoic acid?
The IUPAC name of 4-(3-phenylindazol-1-yl)butanoic acid (CID 5307487) is 4-(3-phenylindazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-phenylindazol-1-yl)butanoic acid?
The canonical SMILES for 4-(3-phenylindazol-1-yl)butanoic acid is O=C(O)CCCn1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 4-(3-phenylindazol-1-yl)butanoic acid?
The InChIKey is UUKDWBQHMNJNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16(21)11-6-12-19-15-10-5-4-9-14(15)17(18-19)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,20,21).
What are the key properties of 4-(3-phenylindazol-1-yl)butanoic acid?
4-(3-phenylindazol-1-yl)butanoic acid has a molecular weight of 280.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylindazol-1-yl)butanoic acid is sourced from PubChem (CID 5307487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).