5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole

C21H22FNO — CID 141077971

IUPAC5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole
SMILESCn1ccc2cc(-c3cccc(F)c3OC3CCCCC3)ccc21
InChIInChI=1S/C21H22FNO/c1-23-13-12-16-14-15(10-11-20(16)23)18-8-5-9-19(22)21(18)24-17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7H2,1H3
InChIKeyLMXVCQNFFUVMQM-UHFFFAOYSA-N
MW323.41 g/mol
LogP5.70
Rot. Bonds3

About 5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole

5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole (PubChem CID 141077971) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is 5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole.

Molecular Properties

Compound Name5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole
PubChem CID141077971
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC Name5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole
SMILESCn1ccc2cc(-c3cccc(F)c3OC3CCCCC3)ccc21
InChIInChI=1S/C21H22FNO/c1-23-13-12-16-14-15(10-11-20(16)23)18-8-5-9-19(22)21(18)24-17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7H2,1H3
InChIKeyLMXVCQNFFUVMQM-UHFFFAOYSA-N
XLogP5.70
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.41
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole?
The IUPAC name of 5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole (CID 141077971) is 5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole.
What is the SMILES notation for 5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole?
The canonical SMILES for 5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole is Cn1ccc2cc(-c3cccc(F)c3OC3CCCCC3)ccc21.
What is the InChIKey of 5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole?
The InChIKey is LMXVCQNFFUVMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO/c1-23-13-12-16-14-15(10-11-20(16)23)18-8-5-9-19(22)21(18)24-17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7H2,1H3.
What are the key properties of 5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole?
5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole has a molecular weight of 323.41 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole is sourced from PubChem (CID 141077971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).