diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate

C19H22O5 — CID 141345102

IUPACdiethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate
SMILESCCOC(=O)c1cc(CCCc2ccccc2)c(C(=O)OCC)o1
InChIInChI=1S/C19H22O5/c1-3-22-18(20)16-13-15(17(24-16)19(21)23-4-2)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3
InChIKeyYJUXPIZNDWFFDQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.81
Rot. Bonds8

About diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate

diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate (PubChem CID 141345102) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate
PubChem CID141345102
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Namediethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate
SMILESCCOC(=O)c1cc(CCCc2ccccc2)c(C(=O)OCC)o1
InChIInChI=1S/C19H22O5/c1-3-22-18(20)16-13-15(17(24-16)19(21)23-4-2)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3
InChIKeyYJUXPIZNDWFFDQ-UHFFFAOYSA-N
XLogP3.81
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-bromo-3-(3-phenylpropyl)furan-2-carboxylate
CID 141345098
ethyl 4-benzyl-5-methylfuran-2-carboxylate
CID 102582435
5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid
CID 140991975
triethyl 5-(2-phenylethyl)furan-2,3,4-tricarboxylate
CID 15812358
ethyl 3-methyl-5-(3-phenylpropoxy)-1-benzofuran-2-carboxylate
CID 169244606
ethyl 5-(3-phenylpropylsulfanyl)-1,3,4-oxadiazole-2-carboxylate
CID 116699772
butylbenzene;ethyl carbamate
CID 175305774
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate
CID 146164028
ethyl 4-(bromomethyl)-5-methylfuran-2-carboxylate
CID 15180431
benzene;ethyl acetate;3-phenylpropan-1-ol
CID 158644115
ethyl 1-(3-phenylpropyl)tetrazole-5-carboxylate
CID 79318081

Frequently Asked Questions

What is the IUPAC name of diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate?
The IUPAC name of diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate (CID 141345102) is diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate.
What is the SMILES notation for diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate?
The canonical SMILES for diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate is CCOC(=O)c1cc(CCCc2ccccc2)c(C(=O)OCC)o1.
What is the InChIKey of diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate?
The InChIKey is YJUXPIZNDWFFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-3-22-18(20)16-13-15(17(24-16)19(21)23-4-2)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3.
What are the key properties of diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate?
diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate has a molecular weight of 330.38 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate is sourced from PubChem (CID 141345102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).