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

C23H21NO3 — CID 4127205

IUPAC[1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone
SMILESCc1ccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)cc1C
InChIInChI=1S/C23H21NO3/c1-16-9-10-18(14-17(16)2)26-13-11-24-15-20(19-6-3-4-7-21(19)24)23(25)22-8-5-12-27-22/h3-10,12,14-15H,11,13H2,1-2H3
InChIKeyGSUYUPADCCNDRI-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.16
Rot. Bonds6

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

[1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone (PubChem CID 4127205) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is [1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone
PubChem CID4127205
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name[1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone
SMILESCc1ccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)cc1C
InChIInChI=1S/C23H21NO3/c1-16-9-10-18(14-17(16)2)26-13-11-24-15-20(19-6-3-4-7-21(19)24)23(25)22-8-5-12-27-22/h3-10,12,14-15H,11,13H2,1-2H3
InChIKeyGSUYUPADCCNDRI-UHFFFAOYSA-N
XLogP5.16
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone?
The IUPAC name of [1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone (CID 4127205) is [1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone?
The canonical SMILES for [1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone is Cc1ccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)cc1C.
What is the InChIKey of [1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone?
The InChIKey is GSUYUPADCCNDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-16-9-10-18(14-17(16)2)26-13-11-24-15-20(19-6-3-4-7-21(19)24)23(25)22-8-5-12-27-22/h3-10,12,14-15H,11,13H2,1-2H3.
What are the key properties of [1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone?
[1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone has a molecular weight of 359.43 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 4127205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).