4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane

C28H39N5O4 — CID 169215103

About 4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane

4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane (PubChem CID 169215103) has the molecular formula C28H39N5O4 and a molecular weight of 509.65 g/mol. Its IUPAC name is 4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane.

Molecular Properties

• Compound Name: 4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane
• PubChem CID: 169215103
• Molecular Formula: C28H39N5O4
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.30
• IUPAC Name: 4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane
• SMILES: C=CCCC.CCC.COc1cc(NNc2ccc([N+](=O)[O-])cc2)c(O)cc1NNc1ccc(C)cc1
• InChI: InChI=1S/C20H21N5O4.C5H10.C3H8/c1-13-3-5-14(6-4-13)22-24-18-11-19(26)17(12-20(18)29-2)23-21-15-7-9-16(10-8-15)25(27)28;1-3-5-4-2;1-3-2/h3-12,21-24,26H,1-2H3;3H,1,4-5H2,2H3;3H2,1-2H3
• InChIKey: JIJGXPDAMRYGHB-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 120.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane?

The IUPAC name of 4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane (CID 169215103) is 4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane.

What is the SMILES notation for 4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane?

The canonical SMILES for 4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane is C=CCCC.CCC.COc1cc(NNc2ccc([N+](=O)[O-])cc2)c(O)cc1NNc1ccc(C)cc1.

What is the InChIKey of 4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane?

The InChIKey is JIJGXPDAMRYGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4.C5H10.C3H8/c1-13-3-5-14(6-4-13)22-24-18-11-19(26)17(12-20(18)29-2)23-21-15-7-9-16(10-8-15)25(27)28;1-3-5-4-2;1-3-2/h3-12,21-24,26H,1-2H3;3H,1,4-5H2,2H3;3H2,1-2H3.

What are the key properties of 4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane?

4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane has a molecular weight of 509.65 g/mol, XLogP of 7.88, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane is sourced from PubChem (CID 169215103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).