3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one

C22H23NO4 — CID 51003403

IUPAC3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCCN4CCCC4)ccc3c2=O)cc1
InChIInChI=1S/C22H23NO4/c1-25-17-6-4-16(5-7-17)20-15-27-21-14-18(8-9-19(21)22(20)24)26-13-12-23-10-2-3-11-23/h4-9,14-15H,2-3,10-13H2,1H3
InChIKeyVOVZEDVHSSTHNO-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.94
Rot. Bonds6

About 3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one

3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one (PubChem CID 51003403) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one
PubChem CID51003403
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCCN4CCCC4)ccc3c2=O)cc1
InChIInChI=1S/C22H23NO4/c1-25-17-6-4-16(5-7-17)20-15-27-21-14-18(8-9-19(21)22(20)24)26-13-12-23-10-2-3-11-23/h4-9,14-15H,2-3,10-13H2,1H3
InChIKeyVOVZEDVHSSTHNO-UHFFFAOYSA-N
XLogP3.94
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one (CID 51003403) is 3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one is COc1ccc(-c2coc3cc(OCCN4CCCC4)ccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one?
The InChIKey is VOVZEDVHSSTHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-25-17-6-4-16(5-7-17)20-15-27-21-14-18(8-9-19(21)22(20)24)26-13-12-23-10-2-3-11-23/h4-9,14-15H,2-3,10-13H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one?
3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one has a molecular weight of 365.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one is sourced from PubChem (CID 51003403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).