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

C22H19NO4 — CID 4127211

IUPACfuran-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone
SMILESCOc1ccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)cc1
InChIInChI=1S/C22H19NO4/c1-25-16-8-10-17(11-9-16)26-14-12-23-15-19(18-5-2-3-6-20(18)23)22(24)21-7-4-13-27-21/h2-11,13,15H,12,14H2,1H3
InChIKeyVZZHRNXKXBUANI-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.55
Rot. Bonds7

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

furan-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone (PubChem CID 4127211) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is furan-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone
PubChem CID4127211
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namefuran-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone
SMILESCOc1ccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)cc1
InChIInChI=1S/C22H19NO4/c1-25-16-8-10-17(11-9-16)26-14-12-23-15-19(18-5-2-3-6-20(18)23)22(24)21-7-4-13-27-21/h2-11,13,15H,12,14H2,1H3
InChIKeyVZZHRNXKXBUANI-UHFFFAOYSA-N
XLogP4.55
TPSA53.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone?
The IUPAC name of furan-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone (CID 4127211) is furan-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone.
What is the SMILES notation for furan-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone?
The canonical SMILES for furan-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone is COc1ccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)cc1.
What is the InChIKey of furan-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone?
The InChIKey is VZZHRNXKXBUANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-25-16-8-10-17(11-9-16)26-14-12-23-15-19(18-5-2-3-6-20(18)23)22(24)21-7-4-13-27-21/h2-11,13,15H,12,14H2,1H3.
What are the key properties of furan-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone?
furan-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone has a molecular weight of 361.40 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methanone is sourced from PubChem (CID 4127211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).