methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate

C14H12O6 — CID 2506390

IUPACmethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)/C=C/c2ccco2)o1
InChIInChI=1S/C14H12O6/c1-17-14(16)12-6-4-11(20-12)9-19-13(15)7-5-10-3-2-8-18-10/h2-8H,9H2,1H3/b7-5+
InChIKeyPAFIVIZYUQFUQW-FNORWQNLSA-N
MW276.24 g/mol
LogP2.42
Rot. Bonds5

About methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate

methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate (PubChem CID 2506390) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
PubChem CID2506390
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Namemethyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)/C=C/c2ccco2)o1
InChIInChI=1S/C14H12O6/c1-17-14(16)12-6-4-11(20-12)9-19-13(15)7-5-10-3-2-8-18-10/h2-8H,9H2,1H3/b7-5+
InChIKeyPAFIVIZYUQFUQW-FNORWQNLSA-N
XLogP2.42
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 2511826
methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 8665205
methyl 5-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7734854
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7654003
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate
CID 7909054
methyl 5-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7726518
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3984156
methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate
CID 7734308
butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate (CID 2506390) is methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)/C=C/c2ccco2)o1.
What is the InChIKey of methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is PAFIVIZYUQFUQW-FNORWQNLSA-N. The full InChI is InChI=1S/C14H12O6/c1-17-14(16)12-6-4-11(20-12)9-19-13(15)7-5-10-3-2-8-18-10/h2-8H,9H2,1H3/b7-5+.
What are the key properties of methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 276.24 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2506390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).