ethyl 4-(furan-3-yl)benzoate

C13H12O3 — CID 86071197

IUPACethyl 4-(furan-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C13H12O3/c1-2-16-13(14)11-5-3-10(4-6-11)12-7-8-15-9-12/h3-9H,2H2,1H3
InChIKeyJGLUPAHSLWSGRN-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.12
Rot. Bonds3

About ethyl 4-(furan-3-yl)benzoate

ethyl 4-(furan-3-yl)benzoate (PubChem CID 86071197) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 4-(furan-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(furan-3-yl)benzoate
PubChem CID86071197
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Nameethyl 4-(furan-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C13H12O3/c1-2-16-13(14)11-5-3-10(4-6-11)12-7-8-15-9-12/h3-9H,2H2,1H3
InChIKeyJGLUPAHSLWSGRN-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(furan-3-ylmethyl)benzoate
CID 101411930
ethyl 4-(4-trimethylsilylphenyl)benzoate
CID 162408252
ethyl 4-(4-sulfanylphenyl)benzoate
CID 70674807
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl furan-3-carboxylate;furan-3-carboxylic acid
CID 158096971
ethyl 4-[3-(furan-3-yl)-5-oxo-4H-pyrazol-1-yl]benzoate
CID 90135591
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 4-[5-(4-ethoxycarbonylphenyl)-1-methylpyrrol-2-yl]benzoate
CID 102204589
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(4-acetyloxyphenyl)benzoate
CID 122206053

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-3-yl)benzoate?
The IUPAC name of ethyl 4-(furan-3-yl)benzoate (CID 86071197) is ethyl 4-(furan-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(furan-3-yl)benzoate?
The canonical SMILES for ethyl 4-(furan-3-yl)benzoate is CCOC(=O)c1ccc(-c2ccoc2)cc1.
What is the InChIKey of ethyl 4-(furan-3-yl)benzoate?
The InChIKey is JGLUPAHSLWSGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-2-16-13(14)11-5-3-10(4-6-11)12-7-8-15-9-12/h3-9H,2H2,1H3.
What are the key properties of ethyl 4-(furan-3-yl)benzoate?
ethyl 4-(furan-3-yl)benzoate has a molecular weight of 216.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-3-yl)benzoate is sourced from PubChem (CID 86071197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).