4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid

C16H17NO4 — CID 107736710

IUPAC4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid
SMILESCN(CCOc1ccc(C(=O)O)cc1)c1cccc(O)c1
InChIInChI=1S/C16H17NO4/c1-17(13-3-2-4-14(18)11-13)9-10-21-15-7-5-12(6-8-15)16(19)20/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyGQASPSDQARQNGF-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.61
Rot. Bonds6

About 4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid

4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid (PubChem CID 107736710) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid
PubChem CID107736710
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid
SMILESCN(CCOc1ccc(C(=O)O)cc1)c1cccc(O)c1
InChIInChI=1S/C16H17NO4/c1-17(13-3-2-4-14(18)11-13)9-10-21-15-7-5-12(6-8-15)16(19)20/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyGQASPSDQARQNGF-UHFFFAOYSA-N
XLogP2.61
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
CID 71207284
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid
CID 107736702
4-[3-(4-bromo-N-methylanilino)propoxy]benzoic acid
CID 14882909
5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid
CID 23651697
methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate
CID 178089831
1-[2-(3-hydroxy-N-methylanilino)ethyl]cyclopropane-1-carboxylic acid
CID 84797407
4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid
CID 43570292
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid (CID 107736710) is 4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid is CN(CCOc1ccc(C(=O)O)cc1)c1cccc(O)c1.
What is the InChIKey of 4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid?
The InChIKey is GQASPSDQARQNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-17(13-3-2-4-14(18)11-13)9-10-21-15-7-5-12(6-8-15)16(19)20/h2-8,11,18H,9-10H2,1H3,(H,19,20).
What are the key properties of 4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid?
4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid is sourced from PubChem (CID 107736710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).