ethyl 4-(furan-3-ylmethyl)benzoate

C14H14O3 — CID 101411930

IUPACethyl 4-(furan-3-ylmethyl)benzoate
SMILESCCOC(=O)c1ccc(Cc2ccoc2)cc1
InChIInChI=1S/C14H14O3/c1-2-17-14(15)13-5-3-11(4-6-13)9-12-7-8-16-10-12/h3-8,10H,2,9H2,1H3
InChIKeyFPQMCRMZXPPUGV-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.05
Rot. Bonds4

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

ethyl 4-(furan-3-ylmethyl)benzoate (PubChem CID 101411930) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 4-(furan-3-ylmethyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(furan-3-ylmethyl)benzoate
PubChem CID101411930
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Nameethyl 4-(furan-3-ylmethyl)benzoate
SMILESCCOC(=O)c1ccc(Cc2ccoc2)cc1
InChIInChI=1S/C14H14O3/c1-2-17-14(15)13-5-3-11(4-6-13)9-12-7-8-16-10-12/h3-8,10H,2,9H2,1H3
InChIKeyFPQMCRMZXPPUGV-UHFFFAOYSA-N
XLogP3.05
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 4-(furan-3-yl)benzoate
CID 86071197
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
ethyl furan-3-carboxylate;furan-3-carboxylic acid
CID 158096971
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 3-(furan-3-yl)-2-oxopropanoate
CID 54299973
ethyl 4-aminobenzoate
CID 2337
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-3-ylmethyl)benzoate?
The IUPAC name of ethyl 4-(furan-3-ylmethyl)benzoate (CID 101411930) is ethyl 4-(furan-3-ylmethyl)benzoate.
What is the SMILES notation for ethyl 4-(furan-3-ylmethyl)benzoate?
The canonical SMILES for ethyl 4-(furan-3-ylmethyl)benzoate is CCOC(=O)c1ccc(Cc2ccoc2)cc1.
What is the InChIKey of ethyl 4-(furan-3-ylmethyl)benzoate?
The InChIKey is FPQMCRMZXPPUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-2-17-14(15)13-5-3-11(4-6-13)9-12-7-8-16-10-12/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 4-(furan-3-ylmethyl)benzoate?
ethyl 4-(furan-3-ylmethyl)benzoate has a molecular weight of 230.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-3-ylmethyl)benzoate is sourced from PubChem (CID 101411930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).