2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid

C16H17NO4 — CID 107672662

IUPAC2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid
SMILESCCCOc1cccnc1Oc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C16H17NO4/c1-3-9-20-14-5-4-8-17-15(14)21-12-6-7-13(16(18)19)11(2)10-12/h4-8,10H,3,9H2,1-2H3,(H,18,19)
InChIKeyKLNYWEQUXMKLER-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.67
Rot. Bonds6

About 2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid

2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid (PubChem CID 107672662) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid
PubChem CID107672662
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid
SMILESCCCOc1cccnc1Oc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C16H17NO4/c1-3-9-20-14-5-4-8-17-15(14)21-12-6-7-13(16(18)19)11(2)10-12/h4-8,10H,3,9H2,1-2H3,(H,18,19)
InChIKeyKLNYWEQUXMKLER-UHFFFAOYSA-N
XLogP3.67
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid
CID 107672576
1-[5-amino-2-[(3-propoxy-2-pyridinyl)oxy]phenyl]ethanone
CID 116541551
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
2-(4-butanoylphenoxy)pyridine-3-carboxylic acid
CID 166523916
2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine
CID 113370726
4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
CID 62136478
2-(4-propanoylphenoxy)pyridine-3-carboxylic acid
CID 45422631
2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine
CID 107724263
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
CID 107063396
ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate
CID 44764821
(2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone
CID 105097019
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid (CID 107672662) is 2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid is CCCOc1cccnc1Oc1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid?
The InChIKey is KLNYWEQUXMKLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-9-20-14-5-4-8-17-15(14)21-12-6-7-13(16(18)19)11(2)10-12/h4-8,10H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid?
2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid has a molecular weight of 287.32 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 107672662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).