6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride

C31H30ClNO5 — CID 69436628

About 6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride

6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride (PubChem CID 69436628) has the molecular formula C31H30ClNO5 and a molecular weight of 532.04 g/mol. Its IUPAC name is 6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride.

Molecular Properties

• Compound Name: 6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride
• PubChem CID: 69436628
• Molecular Formula: C31H30ClNO5
• Molecular Weight: 532.04 g/mol
• Exact Mass: 531.18
• IUPAC Name: 6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride
• SMILES: Cl.O=C1OCc2ccc(-c3ccc4cc(O)ccc4c3Oc3ccc(OCCN4CCCCC4)cc3)cc21
• InChI: InChI=1S/C31H29NO5.ClH/c33-24-7-13-28-21(18-24)6-12-27(22-4-5-23-20-36-31(34)29(23)19-22)30(28)37-26-10-8-25(9-11-26)35-17-16-32-14-2-1-3-15-32;/h4-13,18-19,33H,1-3,14-17,20H2;1H
• InChIKey: LWQWJIKZKHIKKF-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 68.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.04
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride?

The IUPAC name of 6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride (CID 69436628) is 6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride.

What is the SMILES notation for 6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride?

The canonical SMILES for 6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride is Cl.O=C1OCc2ccc(-c3ccc4cc(O)ccc4c3Oc3ccc(OCCN4CCCCC4)cc3)cc21.

What is the InChIKey of 6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride?

The InChIKey is LWQWJIKZKHIKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO5.ClH/c33-24-7-13-28-21(18-24)6-12-27(22-4-5-23-20-36-31(34)29(23)19-22)30(28)37-26-10-8-25(9-11-26)35-17-16-32-14-2-1-3-15-32;/h4-13,18-19,33H,1-3,14-17,20H2;1H.

What are the key properties of 6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride?

6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride has a molecular weight of 532.04 g/mol, XLogP of 6.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride is sourced from PubChem (CID 69436628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).