methyl 3-(5-methoxyfuran-2-yl)propanoate

C9H12O4 — CID 13149551

IUPACmethyl 3-(5-methoxyfuran-2-yl)propanoate
SMILESCOC(=O)CCc1ccc(OC)o1
InChIInChI=1S/C9H12O4/c1-11-8(10)5-3-7-4-6-9(12-2)13-7/h4,6H,3,5H2,1-2H3
InChIKeyYXOLRLSRMJFELH-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.39
Rot. Bonds4

About methyl 3-(5-methoxyfuran-2-yl)propanoate

methyl 3-(5-methoxyfuran-2-yl)propanoate (PubChem CID 13149551) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 3-(5-methoxyfuran-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-methoxyfuran-2-yl)propanoate
PubChem CID13149551
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Namemethyl 3-(5-methoxyfuran-2-yl)propanoate
SMILESCOC(=O)CCc1ccc(OC)o1
InChIInChI=1S/C9H12O4/c1-11-8(10)5-3-7-4-6-9(12-2)13-7/h4,6H,3,5H2,1-2H3
InChIKeyYXOLRLSRMJFELH-UHFFFAOYSA-N
XLogP1.39
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(5-methoxyfuran-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pentylfuran
CID 19602
2-Butylfuran
CID 20534
2-Ethyl-5-methylfuran
CID 74346
2-Heptylfuran
CID 19603
2-Propylfuran
CID 77907
Ethyl 2-furanpropionate
CID 61450
Isobutyl-2-furanpropionate
CID 7733
4-(2-Furyl)-2-butanone
CID 12780
Isoamyl 3-(2-furan)propionate
CID 538506
2-Decylfuran
CID 12762300
(E)-Ethyl 3-(2-furyl)acrylate
CID 699489
2-Octylfuran
CID 77845

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methoxyfuran-2-yl)propanoate?
The IUPAC name of methyl 3-(5-methoxyfuran-2-yl)propanoate (CID 13149551) is methyl 3-(5-methoxyfuran-2-yl)propanoate.
What is the SMILES notation for methyl 3-(5-methoxyfuran-2-yl)propanoate?
The canonical SMILES for methyl 3-(5-methoxyfuran-2-yl)propanoate is COC(=O)CCc1ccc(OC)o1.
What is the InChIKey of methyl 3-(5-methoxyfuran-2-yl)propanoate?
The InChIKey is YXOLRLSRMJFELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-11-8(10)5-3-7-4-6-9(12-2)13-7/h4,6H,3,5H2,1-2H3.
What are the key properties of methyl 3-(5-methoxyfuran-2-yl)propanoate?
methyl 3-(5-methoxyfuran-2-yl)propanoate has a molecular weight of 184.19 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methoxyfuran-2-yl)propanoate is sourced from PubChem (CID 13149551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).