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

C18H15NO3 — CID 162519628

IUPACethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate
SMILESC=Cc1cc2occc2c(-c2ccc(C(=O)OCC)cc2)n1
InChIInChI=1S/C18H15NO3/c1-3-14-11-16-15(9-10-22-16)17(19-14)12-5-7-13(8-6-12)18(20)21-4-2/h3,5-11H,1,4H2,2H3
InChIKeyQAIKSFJZVCVCKP-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.31
Rot. Bonds4

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

ethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate (PubChem CID 162519628) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate
PubChem CID162519628
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Nameethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate
SMILESC=Cc1cc2occc2c(-c2ccc(C(=O)OCC)cc2)n1
InChIInChI=1S/C18H15NO3/c1-3-14-11-16-15(9-10-22-16)17(19-14)12-5-7-13(8-6-12)18(20)21-4-2/h3,5-11H,1,4H2,2H3
InChIKeyQAIKSFJZVCVCKP-UHFFFAOYSA-N
XLogP4.31
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate
CID 162519642
ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480
ethyl 4-(4-trimethylsilylphenyl)benzoate
CID 162408252
ethyl 4-prop-2-enoylbenzoate
CID 14093547
ethyl 4-(furan-3-yl)benzoate
CID 86071197
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-(2-propylquinazolin-4-yl)benzoate
CID 142506086
methyl 4-[6-[3-(4-ethoxycarbonylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxalin-2-yl]benzoate
CID 89469510
6-ethoxycarbonylazulene-2-carboxylic acid
CID 90906304
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
ethyl 4-[(Z)-but-2-en-2-yl]benzoate
CID 145025321

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate?
The IUPAC name of ethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate (CID 162519628) is ethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate.
What is the SMILES notation for ethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate?
The canonical SMILES for ethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate is C=Cc1cc2occc2c(-c2ccc(C(=O)OCC)cc2)n1.
What is the InChIKey of ethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate?
The InChIKey is QAIKSFJZVCVCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-3-14-11-16-15(9-10-22-16)17(19-14)12-5-7-13(8-6-12)18(20)21-4-2/h3,5-11H,1,4H2,2H3.
What are the key properties of ethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate?
ethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate has a molecular weight of 293.32 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-ethenylfuro[3,2-c]pyridin-4-yl)benzoate is sourced from PubChem (CID 162519628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).