ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate

C20H21FO3 — CID 23136317

IUPACethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OC2CCc3ccccc32)c(F)c1
InChIInChI=1S/C20H21FO3/c1-2-23-20(22)12-8-14-7-10-19(17(21)13-14)24-18-11-9-15-5-3-4-6-16(15)18/h3-7,10,13,18H,2,8-9,11-12H2,1H3
InChIKeyMIBMLGQDCRLLRM-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.39
Rot. Bonds6

About ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate

ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate (PubChem CID 23136317) has the molecular formula C20H21FO3 and a molecular weight of 328.38 g/mol. Its IUPAC name is ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate
PubChem CID23136317
Molecular FormulaC20H21FO3
Molecular Weight328.38 g/mol
Exact Mass328.15
IUPAC Nameethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OC2CCc3ccccc32)c(F)c1
InChIInChI=1S/C20H21FO3/c1-2-23-20(22)12-8-14-7-10-19(17(21)13-14)24-18-11-9-15-5-3-4-6-16(15)18/h3-7,10,13,18H,2,8-9,11-12H2,1H3
InChIKeyMIBMLGQDCRLLRM-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoate
CID 122642075
ethyl 3-[4-(2-aminoethoxy)-3-fluorophenyl]propanoate;hydrochloride
CID 164576661
3-[4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid
CID 23136455
ethyl 2-[2-[[(1S)-6-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetate
CID 170559394
ethyl 3-[3-(difluoromethoxy)-4-fluorophenyl]propanoate
CID 134632500
3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzaldehyde
CID 43826149
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
(1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937764
ethyl 3-[3-fluoro-4-[(1S,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]propanoate
CID 166880659
1-(2-methylphenoxy)-2,3-dihydro-1H-indene
CID 57123599
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65446449
ethyl 6-[4-(2-aminoethyl)-2-fluorophenoxy]hexanoate
CID 107692722

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate?
The IUPAC name of ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate (CID 23136317) is ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate?
The canonical SMILES for ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate is CCOC(=O)CCc1ccc(OC2CCc3ccccc32)c(F)c1.
What is the InChIKey of ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate?
The InChIKey is MIBMLGQDCRLLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO3/c1-2-23-20(22)12-8-14-7-10-19(17(21)13-14)24-18-11-9-15-5-3-4-6-16(15)18/h3-7,10,13,18H,2,8-9,11-12H2,1H3.
What are the key properties of ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate?
ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate has a molecular weight of 328.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoate is sourced from PubChem (CID 23136317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).