ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate

C16H18O3 — CID 102469883

IUPACethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate
SMILESC=C(c1ccccc1)C1CC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C16H18O3/c1-4-18-16(17)14-10-15(19-12(14)3)11(2)13-8-6-5-7-9-13/h5-9,15H,2,4,10H2,1,3H3
InChIKeyZTPGHQCPDZKKNB-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.33
Rot. Bonds4

About ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate

ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate (PubChem CID 102469883) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate
PubChem CID102469883
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Nameethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate
SMILESC=C(c1ccccc1)C1CC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C16H18O3/c1-4-18-16(17)14-10-15(19-12(14)3)11(2)13-8-6-5-7-9-13/h5-9,15H,2,4,10H2,1,3H3
InChIKeyZTPGHQCPDZKKNB-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate
CID 136903474
ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate
CID 71475241
ethyl 2-benzoylcyclopropene-1-carboxylate
CID 102131953
CID 158970570
CID 158970570
ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate
CID 11043911
ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 102414686
chloroethane;ethyl benzoate
CID 91175503
ethyl benzoate;toluene
CID 23150750
ethyl 1-phenylethenyl carbonate
CID 10081285
(2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone
CID 11043047
ethyl 2-[3-(1-phenylethenyl)-1,2,5-trioxaspiro[5.5]undecan-9-ylidene]butanoate
CID 23658364
methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate
CID 135068918

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate (CID 102469883) is ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate is C=C(c1ccccc1)C1CC(C(=O)OCC)=C(C)O1.
What is the InChIKey of ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate?
The InChIKey is ZTPGHQCPDZKKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-4-18-16(17)14-10-15(19-12(14)3)11(2)13-8-6-5-7-9-13/h5-9,15H,2,4,10H2,1,3H3.
What are the key properties of ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate?
ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 102469883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).