methyl 5-benzylfuran-2-carboxylate

C13H12O3 — CID 766979

IUPACmethyl 5-benzylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2ccccc2)o1
InChIInChI=1S/C13H12O3/c1-15-13(14)12-8-7-11(16-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyDRCHEKVZFGOCNZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.66
Rot. Bonds3

About methyl 5-benzylfuran-2-carboxylate

methyl 5-benzylfuran-2-carboxylate (PubChem CID 766979) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 5-benzylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-benzylfuran-2-carboxylate
PubChem CID766979
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Namemethyl 5-benzylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2ccccc2)o1
InChIInChI=1S/C13H12O3/c1-15-13(14)12-8-7-11(16-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyDRCHEKVZFGOCNZ-UHFFFAOYSA-N
XLogP2.66
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-benzylfuran-2-carboxylate?
The IUPAC name of methyl 5-benzylfuran-2-carboxylate (CID 766979) is methyl 5-benzylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-benzylfuran-2-carboxylate?
The canonical SMILES for methyl 5-benzylfuran-2-carboxylate is COC(=O)c1ccc(Cc2ccccc2)o1.
What is the InChIKey of methyl 5-benzylfuran-2-carboxylate?
The InChIKey is DRCHEKVZFGOCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-15-13(14)12-8-7-11(16-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of methyl 5-benzylfuran-2-carboxylate?
methyl 5-benzylfuran-2-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzylfuran-2-carboxylate is sourced from PubChem (CID 766979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).