methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate

C16H16O5 — CID 3063115

IUPACmethyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate
SMILESCCC(=O)c1ccc(Oc2ccc(CC(=O)OC)cc2)o1
InChIInChI=1S/C16H16O5/c1-3-13(17)14-8-9-16(21-14)20-12-6-4-11(5-7-12)10-15(18)19-2/h4-9H,3,10H2,1-2H3
InChIKeyAXCJNVWXPDMOKO-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.38
Rot. Bonds6

About methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate

methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate (PubChem CID 3063115) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate
PubChem CID3063115
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Namemethyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate
SMILESCCC(=O)c1ccc(Oc2ccc(CC(=O)OC)cc2)o1
InChIInChI=1S/C16H16O5/c1-3-13(17)14-8-9-16(21-14)20-12-6-4-11(5-7-12)10-15(18)19-2/h4-9H,3,10H2,1-2H3
InChIKeyAXCJNVWXPDMOKO-UHFFFAOYSA-N
XLogP3.38
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate?
The IUPAC name of methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate (CID 3063115) is methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate.
What is the SMILES notation for methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate?
The canonical SMILES for methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate is CCC(=O)c1ccc(Oc2ccc(CC(=O)OC)cc2)o1.
What is the InChIKey of methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate?
The InChIKey is AXCJNVWXPDMOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-3-13(17)14-8-9-16(21-14)20-12-6-4-11(5-7-12)10-15(18)19-2/h4-9H,3,10H2,1-2H3.
What are the key properties of methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate?
methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate has a molecular weight of 288.30 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]acetate is sourced from PubChem (CID 3063115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).