2-phenyl-2-quinolin-3-yloxyacetic acid

C17H13NO3 — CID 107386759

IUPAC2-phenyl-2-quinolin-3-yloxyacetic acid
SMILESO=C(O)C(Oc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C17H13NO3/c19-17(20)16(12-6-2-1-3-7-12)21-14-10-13-8-4-5-9-15(13)18-11-14/h1-11,16H,(H,19,20)
InChIKeyMSRKOGMRTUXVKU-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.44
Rot. Bonds4

About 2-phenyl-2-quinolin-3-yloxyacetic acid

2-phenyl-2-quinolin-3-yloxyacetic acid (PubChem CID 107386759) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-phenyl-2-quinolin-3-yloxyacetic acid.

Molecular Properties

Compound Name2-phenyl-2-quinolin-3-yloxyacetic acid
PubChem CID107386759
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-phenyl-2-quinolin-3-yloxyacetic acid
SMILESO=C(O)C(Oc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C17H13NO3/c19-17(20)16(12-6-2-1-3-7-12)21-14-10-13-8-4-5-9-15(13)18-11-14/h1-11,16H,(H,19,20)
InChIKeyMSRKOGMRTUXVKU-UHFFFAOYSA-N
XLogP3.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-quinolin-3-yloxybutanoic acid
CID 107386787
2-chloro-3-quinolin-3-yloxypropanoic acid
CID 107387997
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide
CID 155029826
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
quinolin-3-yl 2,2,2-trifluoroacetate
CID 70210319
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
2-quinolin-3-yloxypropanenitrile
CID 107388161
2-(3-ethoxyphenoxy)-2-phenylacetic acid
CID 62338438
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
methyl 2-quinolin-3-yloxyhexanoate
CID 107386801

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-quinolin-3-yloxyacetic acid?
The IUPAC name of 2-phenyl-2-quinolin-3-yloxyacetic acid (CID 107386759) is 2-phenyl-2-quinolin-3-yloxyacetic acid.
What is the SMILES notation for 2-phenyl-2-quinolin-3-yloxyacetic acid?
The canonical SMILES for 2-phenyl-2-quinolin-3-yloxyacetic acid is O=C(O)C(Oc1cnc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-quinolin-3-yloxyacetic acid?
The InChIKey is MSRKOGMRTUXVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-17(20)16(12-6-2-1-3-7-12)21-14-10-13-8-4-5-9-15(13)18-11-14/h1-11,16H,(H,19,20).
What are the key properties of 2-phenyl-2-quinolin-3-yloxyacetic acid?
2-phenyl-2-quinolin-3-yloxyacetic acid has a molecular weight of 279.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-quinolin-3-yloxyacetic acid is sourced from PubChem (CID 107386759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).