ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate

C17H20O4 — CID 892210

IUPACethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1
InChIInChI=1S/C17H20O4/c1-4-19-17(18)16-10-9-15(21-16)11-20-14-7-5-13(6-8-14)12(2)3/h5-10,12H,4,11H2,1-3H3
InChIKeyGNBSLOQILWHLTB-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.16
Rot. Bonds6

About ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate

ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate (PubChem CID 892210) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate
PubChem CID892210
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Nameethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1
InChIInChI=1S/C17H20O4/c1-4-19-17(18)16-10-9-15(21-16)11-20-14-7-5-13(6-8-14)12(2)3/h5-10,12H,4,11H2,1-3H3
InChIKeyGNBSLOQILWHLTB-UHFFFAOYSA-N
XLogP4.16
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate (CID 892210) is ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate is CCOC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1.
What is the InChIKey of ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate?
The InChIKey is GNBSLOQILWHLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-4-19-17(18)16-10-9-15(21-16)11-20-14-7-5-13(6-8-14)12(2)3/h5-10,12H,4,11H2,1-3H3.
What are the key properties of ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate?
ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate has a molecular weight of 288.34 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 892210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).