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

C21H16ClNO3 — CID 4127210

IUPAC[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H16ClNO3/c22-15-7-9-16(10-8-15)25-13-11-23-14-18(17-4-1-2-5-19(17)23)21(24)20-6-3-12-26-20/h1-10,12,14H,11,13H2
InChIKeyHJJUOJJCOGDIMZ-UHFFFAOYSA-N
MW365.82 g/mol
LogP5.20
Rot. Bonds6

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

[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone (PubChem CID 4127210) has the molecular formula C21H16ClNO3 and a molecular weight of 365.82 g/mol. Its IUPAC name is [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone
PubChem CID4127210
Molecular FormulaC21H16ClNO3
Molecular Weight365.82 g/mol
Exact Mass365.08
IUPAC Name[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H16ClNO3/c22-15-7-9-16(10-8-15)25-13-11-23-14-18(17-4-1-2-5-19(17)23)21(24)20-6-3-12-26-20/h1-10,12,14H,11,13H2
InChIKeyHJJUOJJCOGDIMZ-UHFFFAOYSA-N
XLogP5.20
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.82
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone?
The IUPAC name of [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone (CID 4127210) is [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone?
The canonical SMILES for [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone is O=C(c1ccco1)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone?
The InChIKey is HJJUOJJCOGDIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO3/c22-15-7-9-16(10-8-15)25-13-11-23-14-18(17-4-1-2-5-19(17)23)21(24)20-6-3-12-26-20/h1-10,12,14H,11,13H2.
What are the key properties of [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone?
[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone has a molecular weight of 365.82 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 4127210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).