2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid

C16H15NO4 — CID 655619

IUPAC2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
SMILESCN(C)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
InChIInChI=1S/C16H15NO4/c1-17(2)10-7-8-13(14(18)9-10)15(19)11-5-3-4-6-12(11)16(20)21/h3-9,18H,1-2H3,(H,20,21)
InChIKeyGLELQLHCSRTFFD-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.39
Rot. Bonds4

About 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid

2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid (PubChem CID 655619) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
PubChem CID655619
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
SMILESCN(C)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
InChIInChI=1S/C16H15NO4/c1-17(2)10-7-8-13(14(18)9-10)15(19)11-5-3-4-6-12(11)16(20)21/h3-9,18H,1-2H3,(H,20,21)
InChIKeyGLELQLHCSRTFFD-UHFFFAOYSA-N
XLogP2.39
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzoyl-5-(dimethylamino)benzoic acid
CID 19812381
2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid
CID 23390564
2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
4-(dimethylamino)-2-hydroxybenzamide
CID 59564012
2,5-bis[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid
CID 67893360
2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid
CID 171830769
2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
2-[2-hydroxy-4-(4-methylanilino)benzoyl]benzoic acid
CID 21406390
1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone
CID 67362271
N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925
benzoic acid;methyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 175238314
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-phenylbenzamide
CID 10452870

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid?
The IUPAC name of 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid (CID 655619) is 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid.
What is the SMILES notation for 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid?
The canonical SMILES for 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid is CN(C)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1.
What is the InChIKey of 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid?
The InChIKey is GLELQLHCSRTFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-17(2)10-7-8-13(14(18)9-10)15(19)11-5-3-4-6-12(11)16(20)21/h3-9,18H,1-2H3,(H,20,21).
What are the key properties of 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid?
2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid is sourced from PubChem (CID 655619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).