methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate

C15H14O5 — CID 19874529

IUPACmethyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(CC(C)=O)cc2)o1
InChIInChI=1S/C15H14O5/c1-10(16)9-11-3-5-12(6-4-11)19-14-8-7-13(20-14)15(17)18-2/h3-8H,9H2,1-2H3
InChIKeyXUYSXAGHQBQNSQ-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.99
Rot. Bonds5

About methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate

methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate (PubChem CID 19874529) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate
PubChem CID19874529
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Namemethyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(CC(C)=O)cc2)o1
InChIInChI=1S/C15H14O5/c1-10(16)9-11-3-5-12(6-4-11)19-14-8-7-13(20-14)15(17)18-2/h3-8H,9H2,1-2H3
InChIKeyXUYSXAGHQBQNSQ-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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Related Compounds

methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate
CID 12756460
1-[4-(4-chlorophenoxy)phenyl]propan-2-one
CID 18000323
methyl 2-[4-(5-acetylfuran-2-yl)oxyphenyl]butanoate
CID 3063118
2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid
CID 10563400
methyl 2-[4-(5-propanoylfuran-2-yl)oxyphenyl]propanoate
CID 3063117
methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate
CID 134693338
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate
CID 10665664
N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
CID 119431846
[4-(2-oxopropyl)phenyl] carbonochloridate
CID 115496228
5-(4-bromophenoxy)furan-2-carboxylic acid
CID 12604895

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate?
The IUPAC name of methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate (CID 19874529) is methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate?
The canonical SMILES for methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate is COC(=O)c1ccc(Oc2ccc(CC(C)=O)cc2)o1.
What is the InChIKey of methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate?
The InChIKey is XUYSXAGHQBQNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-10(16)9-11-3-5-12(6-4-11)19-14-8-7-13(20-14)15(17)18-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate?
methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate 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 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate is sourced from PubChem (CID 19874529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).