4-(1-cyclopropylindol-4-yl)benzoic acid

C18H15NO2 — CID 91060401

IUPAC4-(1-cyclopropylindol-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cccc3c2ccn3C2CC2)cc1
InChIInChI=1S/C18H15NO2/c20-18(21)13-6-4-12(5-7-13)15-2-1-3-17-16(15)10-11-19(17)14-8-9-14/h1-7,10-11,14H,8-9H2,(H,20,21)
InChIKeyFPKXKIJVHWLFCO-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.34
Rot. Bonds3

About 4-(1-cyclopropylindol-4-yl)benzoic acid

4-(1-cyclopropylindol-4-yl)benzoic acid (PubChem CID 91060401) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(1-cyclopropylindol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(1-cyclopropylindol-4-yl)benzoic acid
PubChem CID91060401
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name4-(1-cyclopropylindol-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cccc3c2ccn3C2CC2)cc1
InChIInChI=1S/C18H15NO2/c20-18(21)13-6-4-12(5-7-13)15-2-1-3-17-16(15)10-11-19(17)14-8-9-14/h1-7,10-11,14H,8-9H2,(H,20,21)
InChIKeyFPKXKIJVHWLFCO-UHFFFAOYSA-N
XLogP4.34
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylindol-4-yl)benzoic acid?
The IUPAC name of 4-(1-cyclopropylindol-4-yl)benzoic acid (CID 91060401) is 4-(1-cyclopropylindol-4-yl)benzoic acid.
What is the SMILES notation for 4-(1-cyclopropylindol-4-yl)benzoic acid?
The canonical SMILES for 4-(1-cyclopropylindol-4-yl)benzoic acid is O=C(O)c1ccc(-c2cccc3c2ccn3C2CC2)cc1.
What is the InChIKey of 4-(1-cyclopropylindol-4-yl)benzoic acid?
The InChIKey is FPKXKIJVHWLFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-18(21)13-6-4-12(5-7-13)15-2-1-3-17-16(15)10-11-19(17)14-8-9-14/h1-7,10-11,14H,8-9H2,(H,20,21).
What are the key properties of 4-(1-cyclopropylindol-4-yl)benzoic acid?
4-(1-cyclopropylindol-4-yl)benzoic acid has a molecular weight of 277.32 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylindol-4-yl)benzoic acid is sourced from PubChem (CID 91060401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).