3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one

C22H20O4 — CID 740768

IUPAC3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one
SMILESCCCc1cc2c(=O)c(-c3cc4ccccc4o3)c(C)oc2cc1OC
InChIInChI=1S/C22H20O4/c1-4-7-14-10-16-19(12-18(14)24-3)25-13(2)21(22(16)23)20-11-15-8-5-6-9-17(15)26-20/h5-6,8-12H,4,7H2,1-3H3
InChIKeyCPHRUBWVJPBLCU-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.48
Rot. Bonds4

About 3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one

3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one (PubChem CID 740768) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one
PubChem CID740768
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one
SMILESCCCc1cc2c(=O)c(-c3cc4ccccc4o3)c(C)oc2cc1OC
InChIInChI=1S/C22H20O4/c1-4-7-14-10-16-19(12-18(14)24-3)25-13(2)21(22(16)23)20-11-15-8-5-6-9-17(15)26-20/h5-6,8-12H,4,7H2,1-3H3
InChIKeyCPHRUBWVJPBLCU-UHFFFAOYSA-N
XLogP5.48
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one?
The IUPAC name of 3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one (CID 740768) is 3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one?
The canonical SMILES for 3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one is CCCc1cc2c(=O)c(-c3cc4ccccc4o3)c(C)oc2cc1OC.
What is the InChIKey of 3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one?
The InChIKey is CPHRUBWVJPBLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-4-7-14-10-16-19(12-18(14)24-3)25-13(2)21(22(16)23)20-11-15-8-5-6-9-17(15)26-20/h5-6,8-12H,4,7H2,1-3H3.
What are the key properties of 3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one?
3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one has a molecular weight of 348.40 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one is sourced from PubChem (CID 740768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).