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

C14H14N2O4 — CID 117053846

IUPAC4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OC(C)c1cnccn1
InChIInChI=1S/C14H14N2O4/c1-9(11-8-15-5-6-16-11)20-13-7-10(14(17)18)3-4-12(13)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyOFEMYJKEAVHHHQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.32
Rot. Bonds5

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

4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid (PubChem CID 117053846) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid
PubChem CID117053846
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OC(C)c1cnccn1
InChIInChI=1S/C14H14N2O4/c1-9(11-8-15-5-6-16-11)20-13-7-10(14(17)18)3-4-12(13)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyOFEMYJKEAVHHHQ-UHFFFAOYSA-N
XLogP2.32
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid
CID 117053449
4-methoxy-3-pyrazin-2-yloxybenzoic acid
CID 79732439
3,4-dimethoxybenzoic acid;methanol
CID 144580050
1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone
CID 117051942
bis(3,4-dimethoxybenzoic acid);propane-1,2-diol
CID 70546989
3-hydroxy-4-methoxybenzoic acid
CID 12575
3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid
CID 2981353
4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43117185
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
5-methoxy-6-propan-2-yloxypyridine-3-carboxylic acid
CID 67025414
4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoic acid
CID 134080787
4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide
CID 139199481

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid?
The IUPAC name of 4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid (CID 117053846) is 4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid?
The canonical SMILES for 4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid is COc1ccc(C(=O)O)cc1OC(C)c1cnccn1.
What is the InChIKey of 4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid?
The InChIKey is OFEMYJKEAVHHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9(11-8-15-5-6-16-11)20-13-7-10(14(17)18)3-4-12(13)19-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid?
4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid is sourced from PubChem (CID 117053846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).