ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate

C15H18O3 — CID 66927096

IUPACethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate
SMILESCCOC(=O)c1ccc(CCC2CC=CO2)cc1
InChIInChI=1S/C15H18O3/c1-2-17-15(16)13-8-5-12(6-9-13)7-10-14-4-3-11-18-14/h3,5-6,8-9,11,14H,2,4,7,10H2,1H3
InChIKeyOHVQVVABFFZECB-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.10
Rot. Bonds5

About ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate

ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate (PubChem CID 66927096) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate
PubChem CID66927096
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate
SMILESCCOC(=O)c1ccc(CCC2CC=CO2)cc1
InChIInChI=1S/C15H18O3/c1-2-17-15(16)13-8-5-12(6-9-13)7-10-14-4-3-11-18-14/h3,5-6,8-9,11,14H,2,4,7,10H2,1H3
InChIKeyOHVQVVABFFZECB-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
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ethyl 4-(3-methylbut-3-enyl)benzoate
CID 24721809
ethyl 4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoate
CID 118033133
ethyl 4-[3-(dimethylamino)propyl]benzoate
CID 22908170
ethyl 4-(2-acetyloxyethyl)benzoate
CID 70067514
ethyl 4-octylbenzoate
CID 19591720
ethyl 4-[2-(5-amino-4-cyano-2,3-dihydrofuran-3-yl)ethyl]benzoate
CID 71084285
ethyl 4-(3-hydroxybutyl)benzoate
CID 71663434
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 4-[2-(2,3-dihydrofuran-5-yl)ethyl]benzoate
CID 71086384
ethyl 4-(4,4-dimethylpentyl)benzoate
CID 59479842

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate?
The IUPAC name of ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate (CID 66927096) is ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate.
What is the SMILES notation for ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate?
The canonical SMILES for ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate is CCOC(=O)c1ccc(CCC2CC=CO2)cc1.
What is the InChIKey of ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate?
The InChIKey is OHVQVVABFFZECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-17-15(16)13-8-5-12(6-9-13)7-10-14-4-3-11-18-14/h3,5-6,8-9,11,14H,2,4,7,10H2,1H3.
What are the key properties of ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate?
ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate has a molecular weight of 246.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2,3-dihydrofuran-2-yl)ethyl]benzoate is sourced from PubChem (CID 66927096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).