methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate

C18H23NO3 — CID 24792663

IUPACmethyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate
SMILESCCc1c(C2(O)CCCCC2)[nH]c2cc(C(=O)OC)ccc12
InChIInChI=1S/C18H23NO3/c1-3-13-14-8-7-12(17(20)22-2)11-15(14)19-16(13)18(21)9-5-4-6-10-18/h7-8,11,19,21H,3-6,9-10H2,1-2H3
InChIKeyAZIWWPVDAUVIKZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.67
Rot. Bonds3

About methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate

methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate (PubChem CID 24792663) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate
PubChem CID24792663
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Namemethyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate
SMILESCCc1c(C2(O)CCCCC2)[nH]c2cc(C(=O)OC)ccc12
InChIInChI=1S/C18H23NO3/c1-3-13-14-8-7-12(17(20)22-2)11-15(14)19-16(13)18(21)9-5-4-6-10-18/h7-8,11,19,21H,3-6,9-10H2,1-2H3
InChIKeyAZIWWPVDAUVIKZ-UHFFFAOYSA-N
XLogP3.67
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate (CID 24792663) is methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate is CCc1c(C2(O)CCCCC2)[nH]c2cc(C(=O)OC)ccc12.
What is the InChIKey of methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate?
The InChIKey is AZIWWPVDAUVIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-13-14-8-7-12(17(20)22-2)11-15(14)19-16(13)18(21)9-5-4-6-10-18/h7-8,11,19,21H,3-6,9-10H2,1-2H3.
What are the key properties of methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate?
methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate is sourced from PubChem (CID 24792663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).