methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate

C22H24O6 — CID 23116219

IUPACmethyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate
SMILESC=CCOc1cc(OCC=C)c(C(=O)c2ccoc2)c(C(CC)C(=O)OC)c1
InChIInChI=1S/C22H24O6/c1-5-9-27-16-12-18(17(7-3)22(24)25-4)20(19(13-16)28-10-6-2)21(23)15-8-11-26-14-15/h5-6,8,11-14,17H,1-2,7,9-10H2,3-4H3
InChIKeySVQSLNYYFRFYSR-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.31
Rot. Bonds11

About methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate

methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate (PubChem CID 23116219) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate
PubChem CID23116219
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Namemethyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate
SMILESC=CCOc1cc(OCC=C)c(C(=O)c2ccoc2)c(C(CC)C(=O)OC)c1
InChIInChI=1S/C22H24O6/c1-5-9-27-16-12-18(17(7-3)22(24)25-4)20(19(13-16)28-10-6-2)21(23)15-8-11-26-14-15/h5-6,8,11-14,17H,1-2,7,9-10H2,3-4H3
InChIKeySVQSLNYYFRFYSR-UHFFFAOYSA-N
XLogP4.31
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate?
The IUPAC name of methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate (CID 23116219) is methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate.
What is the SMILES notation for methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate?
The canonical SMILES for methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate is C=CCOc1cc(OCC=C)c(C(=O)c2ccoc2)c(C(CC)C(=O)OC)c1.
What is the InChIKey of methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate?
The InChIKey is SVQSLNYYFRFYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O6/c1-5-9-27-16-12-18(17(7-3)22(24)25-4)20(19(13-16)28-10-6-2)21(23)15-8-11-26-14-15/h5-6,8,11-14,17H,1-2,7,9-10H2,3-4H3.
What are the key properties of methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate?
methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate has a molecular weight of 384.43 g/mol, XLogP of 4.31, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(furan-3-carbonyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate is sourced from PubChem (CID 23116219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).