5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid

C16H16ClNO4 — CID 23651697

IUPAC5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid
SMILESCN(CCOc1ccc(Cl)cc1)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C16H16ClNO4/c1-18(8-9-22-13-5-2-11(17)3-6-13)12-4-7-15(19)14(10-12)16(20)21/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyCXHNTKBKQDSYFQ-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.26
Rot. Bonds6

About 5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid

5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid (PubChem CID 23651697) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is 5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid
PubChem CID23651697
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid
SMILESCN(CCOc1ccc(Cl)cc1)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C16H16ClNO4/c1-18(8-9-22-13-5-2-11(17)3-6-13)12-4-7-15(19)14(10-12)16(20)21/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyCXHNTKBKQDSYFQ-UHFFFAOYSA-N
XLogP3.26
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid
CID 20566407
4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857045
5-[3-(4-chlorophenyl)sulfonylpropoxy]-2-hydroxybenzoic acid
CID 54039656
4-[2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]propan-2-yl]-2-hydroxybenzoic acid
CID 67746394
N-[4-[3-(4-chlorophenoxy)propoxy]phenyl]-N-methylacetamide
CID 166215355
5-hexoxy-2-hydroxybenzoic acid
CID 19036724
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
CID 39750578
5-hexadecoxy-2-hydroxybenzoic acid
CID 21495003
2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid
CID 81061457
N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide
CID 60599227
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid (CID 23651697) is 5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid is CN(CCOc1ccc(Cl)cc1)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid?
The InChIKey is CXHNTKBKQDSYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-18(8-9-22-13-5-2-11(17)3-6-13)12-4-7-15(19)14(10-12)16(20)21/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of 5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid?
5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid has a molecular weight of 321.76 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenoxy)ethyl-methylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 23651697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).