6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride

C30H31ClFNO5S — CID 68520285

About 6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride

6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride (PubChem CID 68520285) has the molecular formula C30H31ClFNO5S and a molecular weight of 572.10 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride.

Molecular Properties

• Compound Name: 6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
• PubChem CID: 68520285
• Molecular Formula: C30H31ClFNO5S
• Molecular Weight: 572.10 g/mol
• Exact Mass: 571.16
• IUPAC Name: 6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
• SMILES: CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1F.Cl
• InChI: InChI=1S/C30H30FNO5S.ClH/c1-38(34,35)29-14-6-22(20-28(29)31)26-12-5-21-19-23(33)7-13-27(21)30(26)37-25-10-8-24(9-11-25)36-18-17-32-15-3-2-4-16-32;/h5-14,19-20,33H,2-4,15-18H2,1H3;1H
• InChIKey: QVOMIOAVYZRKIZ-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.10
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride?

The IUPAC name of 6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride (CID 68520285) is 6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride.

What is the SMILES notation for 6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride?

The canonical SMILES for 6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride is CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1F.Cl.

What is the InChIKey of 6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride?

The InChIKey is QVOMIOAVYZRKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FNO5S.ClH/c1-38(34,35)29-14-6-22(20-28(29)31)26-12-5-21-19-23(33)7-13-27(21)30(26)37-25-10-8-24(9-11-25)36-18-17-32-15-3-2-4-16-32;/h5-14,19-20,33H,2-4,15-18H2,1H3;1H.

What are the key properties of 6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride?

6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride has a molecular weight of 572.10 g/mol, XLogP of 6.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 68520285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).