butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol

C28H38N2O2 — CID 143917257

About butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol

butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 143917257) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

• Compound Name: butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol
• PubChem CID: 143917257
• Molecular Formula: C28H38N2O2
• Molecular Weight: 434.62 g/mol
• Exact Mass: 434.29
• IUPAC Name: butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol
• SMILES: CCC(Cn1ccc(-c2ccccc2)n1)O[C@@H]1Cc2c(O)cccc2C[C@H]1C.CCCC
• InChI: InChI=1S/C24H28N2O2.C4H10/c1-3-20(16-26-13-12-22(25-26)18-8-5-4-6-9-18)28-24-15-21-19(14-17(24)2)10-7-11-23(21)27;1-3-4-2/h4-13,17,20,24,27H,3,14-16H2,1-2H3;3-4H2,1-2H3/t17-,20?,24-;/m1./s1
• InChIKey: RYUFIAIUUJXKIM-UWOZYXOASA-N
• XLogP: 6.66
• TPSA: 47.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.62
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol?

The IUPAC name of butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 143917257) is butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol.

What is the SMILES notation for butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol?

The canonical SMILES for butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol is CCC(Cn1ccc(-c2ccccc2)n1)O[C@@H]1Cc2c(O)cccc2C[C@H]1C.CCCC.

What is the InChIKey of butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol?

The InChIKey is RYUFIAIUUJXKIM-UWOZYXOASA-N. The full InChI is InChI=1S/C24H28N2O2.C4H10/c1-3-20(16-26-13-12-22(25-26)18-8-5-4-6-9-18)28-24-15-21-19(14-17(24)2)10-7-11-23(21)27;1-3-4-2/h4-13,17,20,24,27H,3,14-16H2,1-2H3;3-4H2,1-2H3/t17-,20?,24-;/m1./s1.

What are the key properties of butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol?

butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 434.62 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for butane;(6R,7R)-6-methyl-7-[1-(3-phenylpyrazol-1-yl)butan-2-yloxy]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 143917257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).