furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone

C23H21NO4 — CID 647625

IUPACfuran-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone
SMILESCOc1ccccc1OCCCn1cc(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C23H21NO4/c1-26-20-10-4-5-11-21(20)27-15-7-13-24-16-18(17-8-2-3-9-19(17)24)23(25)22-12-6-14-28-22/h2-6,8-12,14,16H,7,13,15H2,1H3
InChIKeyTYDAAHDSGUMKMK-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.94
Rot. Bonds8

About furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone

furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone (PubChem CID 647625) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone
PubChem CID647625
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namefuran-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone
SMILESCOc1ccccc1OCCCn1cc(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C23H21NO4/c1-26-20-10-4-5-11-21(20)27-15-7-13-24-16-18(17-8-2-3-9-19(17)24)23(25)22-12-6-14-28-22/h2-6,8-12,14,16H,7,13,15H2,1H3
InChIKeyTYDAAHDSGUMKMK-UHFFFAOYSA-N
XLogP4.94
TPSA53.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone?
The IUPAC name of furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone (CID 647625) is furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone.
What is the SMILES notation for furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone?
The canonical SMILES for furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone is COc1ccccc1OCCCn1cc(C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone?
The InChIKey is TYDAAHDSGUMKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-26-20-10-4-5-11-21(20)27-15-7-13-24-16-18(17-8-2-3-9-19(17)24)23(25)22-12-6-14-28-22/h2-6,8-12,14,16H,7,13,15H2,1H3.
What are the key properties of furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone?
furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone has a molecular weight of 375.42 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methanone is sourced from PubChem (CID 647625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).