3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid

C15H15NO4 — CID 117053449

IUPAC3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1OC(C)c1ccccn1
InChIInChI=1S/C15H15NO4/c1-10(12-5-3-4-8-16-12)20-13-7-6-11(15(17)18)9-14(13)19-2/h3-10H,1-2H3,(H,17,18)
InChIKeyVEGFFZSBYLMTLM-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.93
Rot. Bonds5

About 3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid

3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid (PubChem CID 117053449) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid
PubChem CID117053449
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1OC(C)c1ccccn1
InChIInChI=1S/C15H15NO4/c1-10(12-5-3-4-8-16-12)20-13-7-6-11(15(17)18)9-14(13)19-2/h3-10H,1-2H3,(H,17,18)
InChIKeyVEGFFZSBYLMTLM-UHFFFAOYSA-N
XLogP2.93
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid
CID 117053846
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]-4-propan-2-yloxybenzamide
CID 55767493
3-methoxy-4-(2-pyridin-2-ylpropan-2-yloxy)benzoic acid
CID 117053458
3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid
CID 2981353
2,2-dimethyl-4-(1-pyridin-2-ylethoxy)-3H-1-benzofuran-6-carboxylic acid
CID 67482672
methyl 3-methoxy-4-[(1S)-1-phenylethoxy]benzoate
CID 121407788
methyl 4-(1-pyridin-2-ylethoxy)benzoate
CID 68727423
4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile
CID 117053031
4-(1-pyridin-2-ylethoxy)benzoyl chloride
CID 86648380
4-(1-carboxybutoxy)-3-methoxybenzoic acid
CID 83041356
1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone
CID 82037403

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid?
The IUPAC name of 3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid (CID 117053449) is 3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid.
What is the SMILES notation for 3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid?
The canonical SMILES for 3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid is COc1cc(C(=O)O)ccc1OC(C)c1ccccn1.
What is the InChIKey of 3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid?
The InChIKey is VEGFFZSBYLMTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10(12-5-3-4-8-16-12)20-13-7-6-11(15(17)18)9-14(13)19-2/h3-10H,1-2H3,(H,17,18).
What are the key properties of 3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid?
3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid is sourced from PubChem (CID 117053449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).