4-[3-(dimethylamino)phenyl]benzoic acid

C15H15NO2 — CID 10610132

IUPAC4-[3-(dimethylamino)phenyl]benzoic acid
SMILESCN(C)c1cccc(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H15NO2/c1-16(2)14-5-3-4-13(10-14)11-6-8-12(9-7-11)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKeyUJFZKWPBNXPXRR-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.12
Rot. Bonds3

About 4-[3-(dimethylamino)phenyl]benzoic acid

4-[3-(dimethylamino)phenyl]benzoic acid (PubChem CID 10610132) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenyl]benzoic acid
PubChem CID10610132
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-[3-(dimethylamino)phenyl]benzoic acid
SMILESCN(C)c1cccc(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H15NO2/c1-16(2)14-5-3-4-13(10-14)11-6-8-12(9-7-11)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKeyUJFZKWPBNXPXRR-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenyl]benzoic acid?
The IUPAC name of 4-[3-(dimethylamino)phenyl]benzoic acid (CID 10610132) is 4-[3-(dimethylamino)phenyl]benzoic acid.
What is the SMILES notation for 4-[3-(dimethylamino)phenyl]benzoic acid?
The canonical SMILES for 4-[3-(dimethylamino)phenyl]benzoic acid is CN(C)c1cccc(-c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[3-(dimethylamino)phenyl]benzoic acid?
The InChIKey is UJFZKWPBNXPXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-16(2)14-5-3-4-13(10-14)11-6-8-12(9-7-11)15(17)18/h3-10H,1-2H3,(H,17,18).
What are the key properties of 4-[3-(dimethylamino)phenyl]benzoic acid?
4-[3-(dimethylamino)phenyl]benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenyl]benzoic acid is sourced from PubChem (CID 10610132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).