2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid

C23H24N2O4 — CID 138532303

IUPAC2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid
SMILESCCCCc1cnc(-c2ccc(OC)cc2)c(-c2ccc(OCC(=O)O)cc2)n1
InChIInChI=1S/C23H24N2O4/c1-3-4-5-18-14-24-22(16-6-10-19(28-2)11-7-16)23(25-18)17-8-12-20(13-9-17)29-15-21(26)27/h6-14H,3-5,15H2,1-2H3,(H,26,27)
InChIKeySMPJONFOXOCGEV-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.63
Rot. Bonds9

About 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid

2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid (PubChem CID 138532303) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid
PubChem CID138532303
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid
SMILESCCCCc1cnc(-c2ccc(OC)cc2)c(-c2ccc(OCC(=O)O)cc2)n1
InChIInChI=1S/C23H24N2O4/c1-3-4-5-18-14-24-22(16-6-10-19(28-2)11-7-16)23(25-18)17-8-12-20(13-9-17)29-15-21(26)27/h6-14H,3-5,15H2,1-2H3,(H,26,27)
InChIKeySMPJONFOXOCGEV-UHFFFAOYSA-N
XLogP4.63
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-butyl-3-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid
CID 138532302
4-[6-butyl-3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]benzoic acid
CID 138532490
4-[6-butyl-3-(4-tert-butylphenyl)pyrazin-2-yl]benzoic acid
CID 138532271
4-[6-butyl-3-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]benzoic acid
CID 138654234
methyl 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]acetate
CID 168975276
2-(4-octylphenoxy)acetic acid
CID 27145
5-butyl-2-(4-methoxyphenyl)-3-(4-methylsulfonylpiperidin-1-yl)pyrazine
CID 168974943
2-(4-docosoxyphenoxy)acetic acid
CID 139839551
6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid
CID 175431890
4-[3-(3,5-difluoro-4-methoxyphenyl)-6-(3-methoxypropyl)pyrazin-2-yl]benzoic acid
CID 138532305
2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine
CID 54033402
2-[(5-methoxy-2-pyridinyl)oxy]acetic acid
CID 106504767

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid (CID 138532303) is 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid is CCCCc1cnc(-c2ccc(OC)cc2)c(-c2ccc(OCC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid?
The InChIKey is SMPJONFOXOCGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-4-5-18-14-24-22(16-6-10-19(28-2)11-7-16)23(25-18)17-8-12-20(13-9-17)29-15-21(26)27/h6-14H,3-5,15H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid?
2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid has a molecular weight of 392.46 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-butyl-3-(4-methoxyphenyl)pyrazin-2-yl]phenoxy]acetic acid is sourced from PubChem (CID 138532303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).