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

C16H16O5 — CID 3063116

IUPACmethyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(Oc2ccc(C(C)=O)o2)cc1
InChIInChI=1S/C16H16O5/c1-10(16(18)19-3)12-4-6-13(7-5-12)20-15-9-8-14(21-15)11(2)17/h4-10H,1-3H3
InChIKeyRJYSGSAZQWXQBS-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.55
Rot. Bonds5

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

methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate (PubChem CID 3063116) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate
PubChem CID3063116
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Namemethyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(Oc2ccc(C(C)=O)o2)cc1
InChIInChI=1S/C16H16O5/c1-10(16(18)19-3)12-4-6-13(7-5-12)20-15-9-8-14(21-15)11(2)17/h4-10H,1-3H3
InChIKeyRJYSGSAZQWXQBS-UHFFFAOYSA-N
XLogP3.55
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.55
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-acetylfuran-2-yl)oxyphenyl]propanoate?
The IUPAC name of methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate (CID 3063116) is methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate.
What is the SMILES notation for methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate?
The canonical SMILES for methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate is COC(=O)C(C)c1ccc(Oc2ccc(C(C)=O)o2)cc1.
What is the InChIKey of methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate?
The InChIKey is RJYSGSAZQWXQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-10(16(18)19-3)12-4-6-13(7-5-12)20-15-9-8-14(21-15)11(2)17/h4-10H,1-3H3.
What are the key properties of methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate?
methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate has a molecular weight of 288.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]propanoate is sourced from PubChem (CID 3063116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).