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

C17H18O5 — CID 3063117

IUPACmethyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate
SMILESCCC(=O)c1ccc(Oc2ccc(C(C)C(=O)OC)cc2)o1
InChIInChI=1S/C17H18O5/c1-4-14(18)15-9-10-16(22-15)21-13-7-5-12(6-8-13)11(2)17(19)20-3/h5-11H,4H2,1-3H3
InChIKeyBXQIXWRORDPESF-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.94
Rot. Bonds6

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

methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate (PubChem CID 3063117) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate
PubChem CID3063117
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Namemethyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate
SMILESCCC(=O)c1ccc(Oc2ccc(C(C)C(=O)OC)cc2)o1
InChIInChI=1S/C17H18O5/c1-4-14(18)15-9-10-16(22-15)21-13-7-5-12(6-8-13)11(2)17(19)20-3/h5-11H,4H2,1-3H3
InChIKeyBXQIXWRORDPESF-UHFFFAOYSA-N
XLogP3.94
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.94
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]propanoate?
The IUPAC name of methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate (CID 3063117) is methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate.
What is the SMILES notation for methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate?
The canonical SMILES for methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate is CCC(=O)c1ccc(Oc2ccc(C(C)C(=O)OC)cc2)o1.
What is the InChIKey of methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate?
The InChIKey is BXQIXWRORDPESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-4-14(18)15-9-10-16(22-15)21-13-7-5-12(6-8-13)11(2)17(19)20-3/h5-11H,4H2,1-3H3.
What are the key properties of methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate?
methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate has a molecular weight of 302.33 g/mol, XLogP of 3.94, 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]propanoate is sourced from PubChem (CID 3063117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).