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

C15H16O4 — CID 117241071

IUPAC2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid
SMILESCc1ccc(OCC(C(=O)O)c2ccc(C)o2)cc1
InChIInChI=1S/C15H16O4/c1-10-3-6-12(7-4-10)18-9-13(15(16)17)14-8-5-11(2)19-14/h3-8,13H,9H2,1-2H3,(H,16,17)
InChIKeyVLNYUGKFOFKERU-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.14
Rot. Bonds5

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

2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid (PubChem CID 117241071) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid
PubChem CID117241071
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid
SMILESCc1ccc(OCC(C(=O)O)c2ccc(C)o2)cc1
InChIInChI=1S/C15H16O4/c1-10-3-6-12(7-4-10)18-9-13(15(16)17)14-8-5-11(2)19-14/h3-8,13H,9H2,1-2H3,(H,16,17)
InChIKeyVLNYUGKFOFKERU-UHFFFAOYSA-N
XLogP3.14
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid
CID 117241110
2-chloro-3-(4-methylphenoxy)propanoic acid
CID 22378514
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
4-methyl-2-[(4-methylphenoxy)methyl]pentanoic acid
CID 117242212
methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate
CID 117241131
3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245230
3-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]butanoic acid
CID 103242905
1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea
CID 87000120
methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate
CID 117240986
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
3-methyl-2-(5-methylfuran-2-yl)pentanoic acid
CID 112708912

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid?
The IUPAC name of 2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid (CID 117241071) is 2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid?
The canonical SMILES for 2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid is Cc1ccc(OCC(C(=O)O)c2ccc(C)o2)cc1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid?
The InChIKey is VLNYUGKFOFKERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-10-3-6-12(7-4-10)18-9-13(15(16)17)14-8-5-11(2)19-14/h3-8,13H,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid?
2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid is sourced from PubChem (CID 117241071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).