[6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate

C24H26FNO6 — CID 67622292

IUPAC[6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate
SMILESCCOC(=O)Oc1[nH]c2cc(OC3CCCC3)c(OC)cc2c1-c1ccc(OC)c(F)c1
InChIInChI=1S/C24H26FNO6/c1-4-30-24(27)32-23-22(14-9-10-19(28-2)17(25)11-14)16-12-20(29-3)21(13-18(16)26-23)31-15-7-5-6-8-15/h9-13,15,26H,4-8H2,1-3H3
InChIKeyWZCDFVQYTDNFSI-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.85
Rot. Bonds7

About [6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate

[6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate (PubChem CID 67622292) has the molecular formula C24H26FNO6 and a molecular weight of 443.47 g/mol. Its IUPAC name is [6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate
PubChem CID67622292
Molecular FormulaC24H26FNO6
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC Name[6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate
SMILESCCOC(=O)Oc1[nH]c2cc(OC3CCCC3)c(OC)cc2c1-c1ccc(OC)c(F)c1
InChIInChI=1S/C24H26FNO6/c1-4-30-24(27)32-23-22(14-9-10-19(28-2)17(25)11-14)16-12-20(29-3)21(13-18(16)26-23)31-15-7-5-6-8-15/h9-13,15,26H,4-8H2,1-3H3
InChIKeyWZCDFVQYTDNFSI-UHFFFAOYSA-N
XLogP5.85
TPSA79.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate?
The IUPAC name of [6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate (CID 67622292) is [6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate.
What is the SMILES notation for [6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate?
The canonical SMILES for [6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate is CCOC(=O)Oc1[nH]c2cc(OC3CCCC3)c(OC)cc2c1-c1ccc(OC)c(F)c1.
What is the InChIKey of [6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate?
The InChIKey is WZCDFVQYTDNFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO6/c1-4-30-24(27)32-23-22(14-9-10-19(28-2)17(25)11-14)16-12-20(29-3)21(13-18(16)26-23)31-15-7-5-6-8-15/h9-13,15,26H,4-8H2,1-3H3.
What are the key properties of [6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate?
[6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate has a molecular weight of 443.47 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopentyloxy-3-(3-fluoro-4-methoxyphenyl)-5-methoxy-1H-indol-2-yl] ethyl carbonate is sourced from PubChem (CID 67622292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).