7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol

C32H39NO3 — CID 44522657

About 7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol

7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol (PubChem CID 44522657) has the molecular formula C32H39NO3 and a molecular weight of 485.67 g/mol. Its IUPAC name is 7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol.

Molecular Properties

• Compound Name: 7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol
• PubChem CID: 44522657
• Molecular Formula: C32H39NO3
• Molecular Weight: 485.67 g/mol
• Exact Mass: 485.29
• IUPAC Name: 7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol
• SMILES: CCCCC(O)c1cc(O)c2c(c1)OC(C)(C)CC2C1=CCN(Cc2ccc3ccccc3c2)CC1
• InChI: InChI=1S/C32H39NO3/c1-4-5-10-28(34)26-18-29(35)31-27(20-32(2,3)36-30(31)19-26)24-13-15-33(16-14-24)21-22-11-12-23-8-6-7-9-25(23)17-22/h6-9,11-13,17-19,27-28,34-35H,4-5,10,14-16,20-21H2,1-3H3
• InChIKey: AMLMFZFYSYRFNX-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 52.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.67
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol?

The IUPAC name of 7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol (CID 44522657) is 7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol.

What is the SMILES notation for 7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol?

The canonical SMILES for 7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol is CCCCC(O)c1cc(O)c2c(c1)OC(C)(C)CC2C1=CCN(Cc2ccc3ccccc3c2)CC1.

What is the InChIKey of 7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol?

The InChIKey is AMLMFZFYSYRFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO3/c1-4-5-10-28(34)26-18-29(35)31-27(20-32(2,3)36-30(31)19-26)24-13-15-33(16-14-24)21-22-11-12-23-8-6-7-9-25(23)17-22/h6-9,11-13,17-19,27-28,34-35H,4-5,10,14-16,20-21H2,1-3H3.

What are the key properties of 7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol?

7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol has a molecular weight of 485.67 g/mol, XLogP of 7.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-hydroxypentyl)-2,2-dimethyl-4-[1-(naphthalen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol is sourced from PubChem (CID 44522657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).