ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate

C19H17FO5 — CID 70190763

IUPACethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate
SMILESC/C=C\c1cc2c(cc1Oc1cccc(F)c1C(=O)OCC)OCO2
InChIInChI=1S/C19H17FO5/c1-3-6-12-9-16-17(24-11-23-16)10-15(12)25-14-8-5-7-13(20)18(14)19(21)22-4-2/h3,5-10H,4,11H2,1-2H3/b6-3-
InChIKeyHISZREFJJYGRSJ-UTCJRWHESA-N
MW344.34 g/mol
LogP4.56
Rot. Bonds5

About ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate

ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate (PubChem CID 70190763) has the molecular formula C19H17FO5 and a molecular weight of 344.34 g/mol. Its IUPAC name is ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate
PubChem CID70190763
Molecular FormulaC19H17FO5
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Nameethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate
SMILESC/C=C\c1cc2c(cc1Oc1cccc(F)c1C(=O)OCC)OCO2
InChIInChI=1S/C19H17FO5/c1-3-6-12-9-16-17(24-11-23-16)10-15(12)25-14-8-5-7-13(20)18(14)19(21)22-4-2/h3,5-10H,4,11H2,1-2H3/b6-3-
InChIKeyHISZREFJJYGRSJ-UTCJRWHESA-N
XLogP4.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate?
The IUPAC name of ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate (CID 70190763) is ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate.
What is the SMILES notation for ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate?
The canonical SMILES for ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate is C/C=C\c1cc2c(cc1Oc1cccc(F)c1C(=O)OCC)OCO2.
What is the InChIKey of ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate?
The InChIKey is HISZREFJJYGRSJ-UTCJRWHESA-N. The full InChI is InChI=1S/C19H17FO5/c1-3-6-12-9-16-17(24-11-23-16)10-15(12)25-14-8-5-7-13(20)18(14)19(21)22-4-2/h3,5-10H,4,11H2,1-2H3/b6-3-.
What are the key properties of ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate?
ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate has a molecular weight of 344.34 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-6-[[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]oxy]benzoate is sourced from PubChem (CID 70190763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).