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

C15H14O5 — CID 3063114

IUPACmethyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(Oc2ccc(C(C)=O)o2)cc1
InChIInChI=1S/C15H14O5/c1-10(16)13-7-8-15(20-13)19-12-5-3-11(4-6-12)9-14(17)18-2/h3-8H,9H2,1-2H3
InChIKeyNWFMDIWCBRPDKV-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.99
Rot. Bonds5

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

methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]acetate (PubChem CID 3063114) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]acetate
PubChem CID3063114
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Namemethyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(Oc2ccc(C(C)=O)o2)cc1
InChIInChI=1S/C15H14O5/c1-10(16)13-7-8-15(20-13)19-12-5-3-11(4-6-12)9-14(17)18-2/h3-8H,9H2,1-2H3
InChIKeyNWFMDIWCBRPDKV-UHFFFAOYSA-N
XLogP2.99
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.99
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]acetate?
The IUPAC name of methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]acetate (CID 3063114) is methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]acetate.
What is the SMILES notation for methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]acetate?
The canonical SMILES for methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]acetate is COC(=O)Cc1ccc(Oc2ccc(C(C)=O)o2)cc1.
What is the InChIKey of methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]acetate?
The InChIKey is NWFMDIWCBRPDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-10(16)13-7-8-15(20-13)19-12-5-3-11(4-6-12)9-14(17)18-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]acetate?
methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]acetate has a molecular weight of 274.27 g/mol, XLogP of 2.99, 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]acetate is sourced from PubChem (CID 3063114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).