1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea

C24H24N2O3 — CID 59730985

About 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea

1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea (PubChem CID 59730985) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea
• PubChem CID: 59730985
• Molecular Formula: C24H24N2O3
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.18
• IUPAC Name: 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea
• SMILES: COc1ccc(-c2cccc(NC(=O)Nc3cccc4c3CC(O)CC4)c2)cc1
• InChI: InChI=1S/C24H24N2O3/c1-29-21-12-9-16(10-13-21)18-5-2-6-19(14-18)25-24(28)26-23-7-3-4-17-8-11-20(27)15-22(17)23/h2-7,9-10,12-14,20,27H,8,11,15H2,1H3,(H2,25,26,28)
• InChIKey: RHDIVPZSNGBQJJ-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 70.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea?

The IUPAC name of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea (CID 59730985) is 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea.

What is the SMILES notation for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea?

The canonical SMILES for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea is COc1ccc(-c2cccc(NC(=O)Nc3cccc4c3CC(O)CC4)c2)cc1.

What is the InChIKey of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea?

The InChIKey is RHDIVPZSNGBQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-29-21-12-9-16(10-13-21)18-5-2-6-19(14-18)25-24(28)26-23-7-3-4-17-8-11-20(27)15-22(17)23/h2-7,9-10,12-14,20,27H,8,11,15H2,1H3,(H2,25,26,28).

What are the key properties of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea?

1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea has a molecular weight of 388.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea is sourced from PubChem (CID 59730985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).