ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate

C17H15NO4 — CID 162519642

IUPACethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2nc(CO)cc3occc23)cc1
InChIInChI=1S/C17H15NO4/c1-2-21-17(20)12-5-3-11(4-6-12)16-14-7-8-22-15(14)9-13(10-19)18-16/h3-9,19H,2,10H2,1H3
InChIKeyOCELBNRFXSRLHA-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.16
Rot. Bonds4

About ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate

ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate (PubChem CID 162519642) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate
PubChem CID162519642
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Nameethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2nc(CO)cc3occc23)cc1
InChIInChI=1S/C17H15NO4/c1-2-21-17(20)12-5-3-11(4-6-12)16-14-7-8-22-15(14)9-13(10-19)18-16/h3-9,19H,2,10H2,1H3
InChIKeyOCELBNRFXSRLHA-UHFFFAOYSA-N
XLogP3.16
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate
CID 162519628
ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480
ethyl 4-(4-trimethylsilylphenyl)benzoate
CID 162408252
ethyl 4-(furan-3-yl)benzoate
CID 86071197
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 4-(2-propylquinazolin-4-yl)benzoate
CID 142506086
6-ethoxycarbonylazulene-2-carboxylic acid
CID 90906304
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate
CID 162519622
6-ethoxycarbonylazulene-2-carboxylate
CID 101434282

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate?
The IUPAC name of ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate (CID 162519642) is ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate.
What is the SMILES notation for ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate?
The canonical SMILES for ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate is CCOC(=O)c1ccc(-c2nc(CO)cc3occc23)cc1.
What is the InChIKey of ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate?
The InChIKey is OCELBNRFXSRLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-2-21-17(20)12-5-3-11(4-6-12)16-14-7-8-22-15(14)9-13(10-19)18-16/h3-9,19H,2,10H2,1H3.
What are the key properties of ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate?
ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate has a molecular weight of 297.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate is sourced from PubChem (CID 162519642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).