ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate

C16H16O5 — CID 174304293

IUPACethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate
SMILESCCOC(=O)c1cccc(C(=O)C(C)c2ccco2)c1O
InChIInChI=1S/C16H16O5/c1-3-20-16(19)12-7-4-6-11(15(12)18)14(17)10(2)13-8-5-9-21-13/h4-10,18H,3H2,1-2H3
InChIKeyXXEGKDAHMDCKOQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.15
Rot. Bonds5

About ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate

ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate (PubChem CID 174304293) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate
PubChem CID174304293
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Nameethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate
SMILESCCOC(=O)c1cccc(C(=O)C(C)c2ccco2)c1O
InChIInChI=1S/C16H16O5/c1-3-20-16(19)12-7-4-6-11(15(12)18)14(17)10(2)13-8-5-9-21-13/h4-10,18H,3H2,1-2H3
InChIKeyXXEGKDAHMDCKOQ-UHFFFAOYSA-N
XLogP3.15
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-ethyl-2-hydroxybenzoate
CID 101432634
ethyl 3-amino-2-hydroxybenzoate;hydrochloride
CID 117046540
ethyl 3-(aminomethyl)-2-hydroxybenzoate
CID 117275304
ethyl 2-hydroxy-3-prop-2-enylbenzoate
CID 71331435
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
ethyl 5-(difluoromethyl)-1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]pyrazole-4-carboxylate
CID 96525670
ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713526
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197604
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 10750378
ethyl 2-[(R)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 135054134

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate?
The IUPAC name of ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate (CID 174304293) is ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate.
What is the SMILES notation for ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate?
The canonical SMILES for ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate is CCOC(=O)c1cccc(C(=O)C(C)c2ccco2)c1O.
What is the InChIKey of ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate?
The InChIKey is XXEGKDAHMDCKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-3-20-16(19)12-7-4-6-11(15(12)18)14(17)10(2)13-8-5-9-21-13/h4-10,18H,3H2,1-2H3.
What are the key properties of ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate?
ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate has a molecular weight of 288.30 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(furan-2-yl)propanoyl]-2-hydroxybenzoate is sourced from PubChem (CID 174304293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).