ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate

C19H19FO3 — CID 67771880

IUPACethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate
SMILESCCOC(=O)CC(C1=C2OC=CC=C2CC1)c1ccc(F)cc1
InChIInChI=1S/C19H19FO3/c1-2-22-18(21)12-17(13-5-8-15(20)9-6-13)16-10-7-14-4-3-11-23-19(14)16/h3-6,8-9,11,17H,2,7,10,12H2,1H3
InChIKeyOUCVMLVUDNPLCU-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.38
Rot. Bonds5

About ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate

ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate (PubChem CID 67771880) has the molecular formula C19H19FO3 and a molecular weight of 314.36 g/mol. Its IUPAC name is ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate
PubChem CID67771880
Molecular FormulaC19H19FO3
Molecular Weight314.36 g/mol
Exact Mass314.13
IUPAC Nameethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate
SMILESCCOC(=O)CC(C1=C2OC=CC=C2CC1)c1ccc(F)cc1
InChIInChI=1S/C19H19FO3/c1-2-22-18(21)12-17(13-5-8-15(20)9-6-13)16-10-7-14-4-3-11-23-19(14)16/h3-6,8-9,11,17H,2,7,10,12H2,1H3
InChIKeyOUCVMLVUDNPLCU-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473012
ethyl (3S)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473011
ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate
CID 141367821
[(1S)-3-ethoxy-1-(4-fluorophenyl)-3-oxopropyl] butanoate
CID 11437511
ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate
CID 18071355
ethyl (3R)-3-(4-fluorophenyl)-4-nitrobutanoate
CID 124563659
ethyl (3S)-3-(4-fluorophenyl)-4-nitrobutanoate
CID 124563660
ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate
CID 59132728
ethyl 3-amino-4-(4-fluorophenyl)butanoate
CID 82351777
ethyl 2-[1-(4-fluorophenyl)propylamino]acetate
CID 60811601

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate?
The IUPAC name of ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate (CID 67771880) is ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate.
What is the SMILES notation for ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate?
The canonical SMILES for ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate is CCOC(=O)CC(C1=C2OC=CC=C2CC1)c1ccc(F)cc1.
What is the InChIKey of ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate?
The InChIKey is OUCVMLVUDNPLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3/c1-2-22-18(21)12-17(13-5-8-15(20)9-6-13)16-10-7-14-4-3-11-23-19(14)16/h3-6,8-9,11,17H,2,7,10,12H2,1H3.
What are the key properties of ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate?
ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate has a molecular weight of 314.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 67771880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).