2-(2-quinoxalin-2-yloxyphenyl)acetic acid

C16H12N2O3 — CID 80735910

IUPAC2-(2-quinoxalin-2-yloxyphenyl)acetic acid
SMILESO=C(O)Cc1ccccc1Oc1cnc2ccccc2n1
InChIInChI=1S/C16H12N2O3/c19-16(20)9-11-5-1-4-8-14(11)21-15-10-17-12-6-2-3-7-13(12)18-15/h1-8,10H,9H2,(H,19,20)
InChIKeyYOQFZFVCKGPQQG-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.05
Rot. Bonds4

About 2-(2-quinoxalin-2-yloxyphenyl)acetic acid

2-(2-quinoxalin-2-yloxyphenyl)acetic acid (PubChem CID 80735910) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(2-quinoxalin-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-quinoxalin-2-yloxyphenyl)acetic acid
PubChem CID80735910
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-(2-quinoxalin-2-yloxyphenyl)acetic acid
SMILESO=C(O)Cc1ccccc1Oc1cnc2ccccc2n1
InChIInChI=1S/C16H12N2O3/c19-16(20)9-11-5-1-4-8-14(11)21-15-10-17-12-6-2-3-7-13(12)18-15/h1-8,10H,9H2,(H,19,20)
InChIKeyYOQFZFVCKGPQQG-UHFFFAOYSA-N
XLogP3.05
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-quinoxalin-2-yloxyphenol
CID 13328504
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid
CID 80742082
2-(2-fluorophenoxy)quinoxaline
CID 10537993
2-(2-pyrimidin-2-yloxyphenyl)acetic acid
CID 70166639
2-quinoxalin-2-yloxybenzaldehyde
CID 117061972
3-methyl-4-quinoxalin-2-yloxybenzoic acid
CID 107672759
4-bromo-2-quinoxalin-2-yloxybenzoic acid
CID 62360418
2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid
CID 80742351
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 106973530
2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741750
2-[2-(2-aminophenoxy)phenyl]acetic acid
CID 13409453

Frequently Asked Questions

What is the IUPAC name of 2-(2-quinoxalin-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-(2-quinoxalin-2-yloxyphenyl)acetic acid (CID 80735910) is 2-(2-quinoxalin-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-quinoxalin-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(2-quinoxalin-2-yloxyphenyl)acetic acid is O=C(O)Cc1ccccc1Oc1cnc2ccccc2n1.
What is the InChIKey of 2-(2-quinoxalin-2-yloxyphenyl)acetic acid?
The InChIKey is YOQFZFVCKGPQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-16(20)9-11-5-1-4-8-14(11)21-15-10-17-12-6-2-3-7-13(12)18-15/h1-8,10H,9H2,(H,19,20).
What are the key properties of 2-(2-quinoxalin-2-yloxyphenyl)acetic acid?
2-(2-quinoxalin-2-yloxyphenyl)acetic acid has a molecular weight of 280.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinoxalin-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 80735910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).