7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole

C21H31NO — CID 71242555

IUPAC7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole
SMILESCCc1cccc2c(C3(C(C)OC(C)C)CCCCC3)c[nH]c12
InChIInChI=1S/C21H31NO/c1-5-17-10-9-11-18-19(14-22-20(17)18)21(12-7-6-8-13-21)16(4)23-15(2)3/h9-11,14-16,22H,5-8,12-13H2,1-4H3
InChIKeyNQKONIZFSAUFQQ-UHFFFAOYSA-N
MW313.49 g/mol
LogP5.75
Rot. Bonds5

About 7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole

7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole (PubChem CID 71242555) has the molecular formula C21H31NO and a molecular weight of 313.49 g/mol. Its IUPAC name is 7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole.

Molecular Properties

Compound Name7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole
PubChem CID71242555
Molecular FormulaC21H31NO
Molecular Weight313.49 g/mol
Exact Mass313.24
IUPAC Name7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole
SMILESCCc1cccc2c(C3(C(C)OC(C)C)CCCCC3)c[nH]c12
InChIInChI=1S/C21H31NO/c1-5-17-10-9-11-18-19(14-22-20(17)18)21(12-7-6-8-13-21)16(4)23-15(2)3/h9-11,14-16,22H,5-8,12-13H2,1-4H3
InChIKeyNQKONIZFSAUFQQ-UHFFFAOYSA-N
XLogP5.75
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.49
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole?
The IUPAC name of 7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole (CID 71242555) is 7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole.
What is the SMILES notation for 7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole?
The canonical SMILES for 7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole is CCc1cccc2c(C3(C(C)OC(C)C)CCCCC3)c[nH]c12.
What is the InChIKey of 7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole?
The InChIKey is NQKONIZFSAUFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO/c1-5-17-10-9-11-18-19(14-22-20(17)18)21(12-7-6-8-13-21)16(4)23-15(2)3/h9-11,14-16,22H,5-8,12-13H2,1-4H3.
What are the key properties of 7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole?
7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole has a molecular weight of 313.49 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[1-(1-propan-2-yloxyethyl)cyclohexyl]-1H-indole is sourced from PubChem (CID 71242555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).