tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate

C27H30FNO4 — CID 66653072

IUPACtert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCc2oc(-c3ccc(OCc4ccccc4F)cc3)cc2C1
InChIInChI=1S/C27H30FNO4/c1-27(2,3)33-26(30)13-15-29-14-12-24-21(17-29)16-25(32-24)19-8-10-22(11-9-19)31-18-20-6-4-5-7-23(20)28/h4-11,16H,12-15,17-18H2,1-3H3
InChIKeyUEVOLEFNLAAGHB-UHFFFAOYSA-N
MW451.54 g/mol
LogP5.75
Rot. Bonds7

About tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate

tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate (PubChem CID 66653072) has the molecular formula C27H30FNO4 and a molecular weight of 451.54 g/mol. Its IUPAC name is tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate
PubChem CID66653072
Molecular FormulaC27H30FNO4
Molecular Weight451.54 g/mol
Exact Mass451.22
IUPAC Nametert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCc2oc(-c3ccc(OCc4ccccc4F)cc3)cc2C1
InChIInChI=1S/C27H30FNO4/c1-27(2,3)33-26(30)13-15-29-14-12-24-21(17-29)16-25(32-24)19-8-10-22(11-9-19)31-18-20-6-4-5-7-23(20)28/h4-11,16H,12-15,17-18H2,1-3H3
InChIKeyUEVOLEFNLAAGHB-UHFFFAOYSA-N
XLogP5.75
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.54
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propanoic acid
CID 90307766
tert-butyl 3-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 59595894
tert-butyl 3-[6-[3-(2-fluorophenyl)propoxy]spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]propanoate
CID 66655047
tert-butyl 3-[2-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoate
CID 67033099
tert-butyl 3-[6-[(2-propan-2-ylphenyl)methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]propanoate
CID 66655580
tert-butyl 3-[6-(5-cyclopentyl-1-benzofuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoate
CID 59595930
3-[2-[4-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanoic acid
CID 126618811
tert-butyl (4S)-4-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-3-oxopropyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 155709971
tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate
CID 67035803
tert-butyl 2-[4-[(2-fluorophenyl)methoxy]phenyl]-5-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 69157010
1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone
CID 123821866
tert-butyl 3-[3-[4-[(2-fluorophenyl)methoxy]phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate
CID 130247405

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate?
The IUPAC name of tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate (CID 66653072) is tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate?
The canonical SMILES for tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate is CC(C)(C)OC(=O)CCN1CCc2oc(-c3ccc(OCc4ccccc4F)cc3)cc2C1.
What is the InChIKey of tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate?
The InChIKey is UEVOLEFNLAAGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FNO4/c1-27(2,3)33-26(30)13-15-29-14-12-24-21(17-29)16-25(32-24)19-8-10-22(11-9-19)31-18-20-6-4-5-7-23(20)28/h4-11,16H,12-15,17-18H2,1-3H3.
What are the key properties of tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate?
tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate has a molecular weight of 451.54 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoate is sourced from PubChem (CID 66653072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).