cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone

C23H24FNO2 — CID 3463363

IUPACcyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone
SMILESO=C(c1cn(CCOc2ccccc2F)c2ccccc12)C1CCCCC1
InChIInChI=1S/C23H24FNO2/c24-20-11-5-7-13-22(20)27-15-14-25-16-19(18-10-4-6-12-21(18)25)23(26)17-8-2-1-3-9-17/h4-7,10-13,16-17H,1-3,8-9,14-15H2
InChIKeyHEFWMFCOZSMDPU-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.62
Rot. Bonds6

About cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone

cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone (PubChem CID 3463363) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone
PubChem CID3463363
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC Namecyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone
SMILESO=C(c1cn(CCOc2ccccc2F)c2ccccc12)C1CCCCC1
InChIInChI=1S/C23H24FNO2/c24-20-11-5-7-13-22(20)27-15-14-25-16-19(18-10-4-6-12-21(18)25)23(26)17-8-2-1-3-9-17/h4-7,10-13,16-17H,1-3,8-9,14-15H2
InChIKeyHEFWMFCOZSMDPU-UHFFFAOYSA-N
XLogP5.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone?
The IUPAC name of cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone (CID 3463363) is cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone.
What is the SMILES notation for cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone?
The canonical SMILES for cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone is O=C(c1cn(CCOc2ccccc2F)c2ccccc12)C1CCCCC1.
What is the InChIKey of cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone?
The InChIKey is HEFWMFCOZSMDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO2/c24-20-11-5-7-13-22(20)27-15-14-25-16-19(18-10-4-6-12-21(18)25)23(26)17-8-2-1-3-9-17/h4-7,10-13,16-17H,1-3,8-9,14-15H2.
What are the key properties of cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone?
cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone has a molecular weight of 365.45 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methanone is sourced from PubChem (CID 3463363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).