4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol

C39H49NO7 — CID 10794245

About 4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol

4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol (PubChem CID 10794245) has the molecular formula C39H49NO7 and a molecular weight of 643.82 g/mol. Its IUPAC name is 4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol.

Molecular Properties

• Compound Name: 4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol
• PubChem CID: 10794245
• Molecular Formula: C39H49NO7
• Molecular Weight: 643.82 g/mol
• Exact Mass: 643.35
• IUPAC Name: 4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol
• SMILES: CC1(O)c2ccc(OC3CCCCO3)cc2OC(c2ccc(OCCN3CCCCC3)cc2)C1c1ccc(OC2CCCCO2)cc1
• InChI: InChI=1S/C39H49NO7/c1-39(41)33-20-19-32(46-36-10-4-8-25-44-36)27-34(33)47-38(29-13-15-30(16-14-29)42-26-23-40-21-5-2-6-22-40)37(39)28-11-17-31(18-12-28)45-35-9-3-7-24-43-35/h11-20,27,35-38,41H,2-10,21-26H2,1H3
• InChIKey: IMHCGJNZDIPIPR-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 78.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.82
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol?

The IUPAC name of 4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol (CID 10794245) is 4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol.

What is the SMILES notation for 4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol?

The canonical SMILES for 4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol is CC1(O)c2ccc(OC3CCCCO3)cc2OC(c2ccc(OCCN3CCCCC3)cc2)C1c1ccc(OC2CCCCO2)cc1.

What is the InChIKey of 4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol?

The InChIKey is IMHCGJNZDIPIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H49NO7/c1-39(41)33-20-19-32(46-36-10-4-8-25-44-36)27-34(33)47-38(29-13-15-30(16-14-29)42-26-23-40-21-5-2-6-22-40)37(39)28-11-17-31(18-12-28)45-35-9-3-7-24-43-35/h11-20,27,35-38,41H,2-10,21-26H2,1H3.

What are the key properties of 4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol?

4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol has a molecular weight of 643.82 g/mol, XLogP of 7.49, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-7-(oxan-2-yloxy)-3-[4-(oxan-2-yloxy)phenyl]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 10794245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).