3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid

C15H16O5 — CID 117241110

IUPAC3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid
SMILESCOc1ccc(OCC(C(=O)O)c2ccc(C)o2)cc1
InChIInChI=1S/C15H16O5/c1-10-3-8-14(20-10)13(15(16)17)9-19-12-6-4-11(18-2)5-7-12/h3-8,13H,9H2,1-2H3,(H,16,17)
InChIKeyLRYPFMCTGMDNIL-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.84
Rot. Bonds6

About 3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid

3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid (PubChem CID 117241110) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid
PubChem CID117241110
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid
SMILESCOc1ccc(OCC(C(=O)O)c2ccc(C)o2)cc1
InChIInChI=1S/C15H16O5/c1-10-3-8-14(20-10)13(15(16)17)9-19-12-6-4-11(18-2)5-7-12/h3-8,13H,9H2,1-2H3,(H,16,17)
InChIKeyLRYPFMCTGMDNIL-UHFFFAOYSA-N
XLogP2.84
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid
CID 117241071
methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate
CID 117241131
methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate
CID 117240986
2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid
CID 117242245
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
4-(4-methoxyphenoxy)-3-methylbutanoic acid
CID 112508051
3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
CID 117244358
3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82140730
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244439
methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241124

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid?
The IUPAC name of 3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid (CID 117241110) is 3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid?
The canonical SMILES for 3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid is COc1ccc(OCC(C(=O)O)c2ccc(C)o2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid?
The InChIKey is LRYPFMCTGMDNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-10-3-8-14(20-10)13(15(16)17)9-19-12-6-4-11(18-2)5-7-12/h3-8,13H,9H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid?
3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid has a molecular weight of 276.29 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid is sourced from PubChem (CID 117241110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).