2-(4-pyrrolidin-2-ylphenyl)benzoic acid

C17H17NO2 — CID 110162717

IUPAC2-(4-pyrrolidin-2-ylphenyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(C2CCCN2)cc1
InChIInChI=1S/C17H17NO2/c19-17(20)15-5-2-1-4-14(15)12-7-9-13(10-8-12)16-6-3-11-18-16/h1-2,4-5,7-10,16,18H,3,6,11H2,(H,19,20)
InChIKeyLHWYFDLASVLKCB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.48
Rot. Bonds3

About 2-(4-pyrrolidin-2-ylphenyl)benzoic acid

2-(4-pyrrolidin-2-ylphenyl)benzoic acid (PubChem CID 110162717) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-pyrrolidin-2-ylphenyl)benzoic acid.

Molecular Properties

Compound Name2-(4-pyrrolidin-2-ylphenyl)benzoic acid
PubChem CID110162717
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(4-pyrrolidin-2-ylphenyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(C2CCCN2)cc1
InChIInChI=1S/C17H17NO2/c19-17(20)15-5-2-1-4-14(15)12-7-9-13(10-8-12)16-6-3-11-18-16/h1-2,4-5,7-10,16,18H,3,6,11H2,(H,19,20)
InChIKeyLHWYFDLASVLKCB-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-2-ylphenyl)benzoic acid?
The IUPAC name of 2-(4-pyrrolidin-2-ylphenyl)benzoic acid (CID 110162717) is 2-(4-pyrrolidin-2-ylphenyl)benzoic acid.
What is the SMILES notation for 2-(4-pyrrolidin-2-ylphenyl)benzoic acid?
The canonical SMILES for 2-(4-pyrrolidin-2-ylphenyl)benzoic acid is O=C(O)c1ccccc1-c1ccc(C2CCCN2)cc1.
What is the InChIKey of 2-(4-pyrrolidin-2-ylphenyl)benzoic acid?
The InChIKey is LHWYFDLASVLKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20)15-5-2-1-4-14(15)12-7-9-13(10-8-12)16-6-3-11-18-16/h1-2,4-5,7-10,16,18H,3,6,11H2,(H,19,20).
What are the key properties of 2-(4-pyrrolidin-2-ylphenyl)benzoic acid?
2-(4-pyrrolidin-2-ylphenyl)benzoic acid has a molecular weight of 267.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-2-ylphenyl)benzoic acid is sourced from PubChem (CID 110162717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).