ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate

C22H20FNO4 — CID 118384364

IUPACethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]ccc12
InChIInChI=1S/C22H20FNO4/c1-4-26-22(25)18-16-11-17(27-12(2)3)19-15(9-10-24-19)21(16)28-20(18)13-5-7-14(23)8-6-13/h5-12,24H,4H2,1-3H3
InChIKeyMHXRYRAPNSTCGO-UHFFFAOYSA-N
MW381.40 g/mol
LogP5.68
Rot. Bonds5

About ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate

ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate (PubChem CID 118384364) has the molecular formula C22H20FNO4 and a molecular weight of 381.40 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate
PubChem CID118384364
Molecular FormulaC22H20FNO4
Molecular Weight381.40 g/mol
Exact Mass381.14
IUPAC Nameethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]ccc12
InChIInChI=1S/C22H20FNO4/c1-4-26-22(25)18-16-11-17(27-12(2)3)19-15(9-10-24-19)21(16)28-20(18)13-5-7-14(23)8-6-13/h5-12,24H,4H2,1-3H3
InChIKeyMHXRYRAPNSTCGO-UHFFFAOYSA-N
XLogP5.68
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.40
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 5-(3-(2,2-difluoro-1-(4-methoxyphenyl)vinyl)-1H-indol-5-yl)furan-3-carboxylate
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5-hydroxy-2-[[(2S,3R,6S,8S)-3-methyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate (CID 118384364) is ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]ccc12.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate?
The InChIKey is MHXRYRAPNSTCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO4/c1-4-26-22(25)18-16-11-17(27-12(2)3)19-15(9-10-24-19)21(16)28-20(18)13-5-7-14(23)8-6-13/h5-12,24H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate?
ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate has a molecular weight of 381.40 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate is sourced from PubChem (CID 118384364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).