[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone

C23H24ClNO2 — CID 3463361

IUPAC[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone
SMILESO=C(c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C1CCCCC1
InChIInChI=1S/C23H24ClNO2/c24-18-10-12-19(13-11-18)27-15-14-25-16-21(20-8-4-5-9-22(20)25)23(26)17-6-2-1-3-7-17/h4-5,8-13,16-17H,1-3,6-7,14-15H2
InChIKeyYWDUKJCXOWKMPT-UHFFFAOYSA-N
MW381.90 g/mol
LogP6.14
Rot. Bonds6

About [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone

[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone (PubChem CID 3463361) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone
PubChem CID3463361
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC Name[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone
SMILESO=C(c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C1CCCCC1
InChIInChI=1S/C23H24ClNO2/c24-18-10-12-19(13-11-18)27-15-14-25-16-21(20-8-4-5-9-22(20)25)23(26)17-6-2-1-3-7-17/h4-5,8-13,16-17H,1-3,6-7,14-15H2
InChIKeyYWDUKJCXOWKMPT-UHFFFAOYSA-N
XLogP6.14
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.90
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone?
The IUPAC name of [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone (CID 3463361) is [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone.
What is the SMILES notation for [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone?
The canonical SMILES for [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone is O=C(c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C1CCCCC1.
What is the InChIKey of [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone?
The InChIKey is YWDUKJCXOWKMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2/c24-18-10-12-19(13-11-18)27-15-14-25-16-21(20-8-4-5-9-22(20)25)23(26)17-6-2-1-3-7-17/h4-5,8-13,16-17H,1-3,6-7,14-15H2.
What are the key properties of [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone?
[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone has a molecular weight of 381.90 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-cyclohexylmethanone is sourced from PubChem (CID 3463361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).