2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid

C19H15NO3 — CID 4998938

IUPAC2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C=Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H15NO3/c21-19(22)13-23-17-11-6-14(7-12-17)5-9-16-10-8-15-3-1-2-4-18(15)20-16/h1-12H,13H2,(H,21,22)
InChIKeySLCJHJZWABSQGY-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.87
Rot. Bonds5

About 2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid

2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid (PubChem CID 4998938) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid
PubChem CID4998938
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C=Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H15NO3/c21-19(22)13-23-17-11-6-14(7-12-17)5-9-16-10-8-15-3-1-2-4-18(15)20-16/h1-12H,13H2,(H,21,22)
InChIKeySLCJHJZWABSQGY-UHFFFAOYSA-N
XLogP3.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid
CID 52614181
3-[2-[[4-(2-quinolin-2-ylethenyl)phenoxy]methyl]phenyl]prop-2-enoic acid
CID 90875996
2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid
CID 129450942
2-[2-(4-dodecoxyphenyl)ethenyl]quinoline
CID 54189264
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
4-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]butanoic acid
CID 10019718
2-[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]acetic acid
CID 5377973
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
2-[4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 97014182
2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid
CID 75052814
naphthalene;2-phenoxyacetic acid
CID 175275275
2-[N-methyl-4-[(E)-2-quinolin-2-ylethenyl]anilino]propanoic acid
CID 20709092

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid (CID 4998938) is 2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid is O=C(O)COc1ccc(C=Cc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid?
The InChIKey is SLCJHJZWABSQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-19(22)13-23-17-11-6-14(7-12-17)5-9-16-10-8-15-3-1-2-4-18(15)20-16/h1-12H,13H2,(H,21,22).
What are the key properties of 2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid?
2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid has a molecular weight of 305.33 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid is sourced from PubChem (CID 4998938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).