7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one

C33H31F2NO6 — CID 164607220

About 7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one

7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one (PubChem CID 164607220) has the molecular formula C33H31F2NO6 and a molecular weight of 575.61 g/mol. Its IUPAC name is 7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one
• PubChem CID: 164607220
• Molecular Formula: C33H31F2NO6
• Molecular Weight: 575.61 g/mol
• Exact Mass: 575.21
• IUPAC Name: 7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one
• SMILES: Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(C(C)(C)O)ccc4Oc4ccc(F)cc4F)c3o2)cc(C)c1OCCO
• InChI: InChI=1S/C33H31F2NO6/c1-18-12-20(13-19(2)30(18)40-11-10-37)29-16-24-31(42-29)25(17-36(5)32(24)38)23-14-21(33(3,4)39)6-8-27(23)41-28-9-7-22(34)15-26(28)35/h6-9,12-17,37,39H,10-11H2,1-5H3
• InChIKey: MCDGNYQOWDNEJL-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 94.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.61
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one?

The IUPAC name of 7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one (CID 164607220) is 7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one.

What is the SMILES notation for 7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one?

The canonical SMILES for 7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one is Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(C(C)(C)O)ccc4Oc4ccc(F)cc4F)c3o2)cc(C)c1OCCO.

What is the InChIKey of 7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one?

The InChIKey is MCDGNYQOWDNEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2NO6/c1-18-12-20(13-19(2)30(18)40-11-10-37)29-16-24-31(42-29)25(17-36(5)32(24)38)23-14-21(33(3,4)39)6-8-27(23)41-28-9-7-22(34)15-26(28)35/h6-9,12-17,37,39H,10-11H2,1-5H3.

What are the key properties of 7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one?

7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one has a molecular weight of 575.61 g/mol, XLogP of 6.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(2,4-difluorophenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 164607220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).