2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol

C27H34O2 — CID 134535502

About 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol

2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol (PubChem CID 134535502) has the molecular formula C27H34O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol.

Molecular Properties

• Compound Name: 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol
• PubChem CID: 134535502
• Molecular Formula: C27H34O2
• Molecular Weight: 390.57 g/mol
• Exact Mass: 390.26
• IUPAC Name: 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol
• SMILES: C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1Oc1ccccc1
• InChI: InChI=1S/C27H34O2/c1-5-6-8-11-21-17-25(28)27(24-16-20(4)14-15-23(24)19(2)3)26(18-21)29-22-12-9-7-10-13-22/h7,9-10,12-13,16-18,23-24,28H,2,5-6,8,11,14-15H2,1,3-4H3
• InChIKey: OUJWJXGNNMPUCE-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.57
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol?

The IUPAC name of 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol (CID 134535502) is 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol.

What is the SMILES notation for 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol?

The canonical SMILES for 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol is C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1Oc1ccccc1.

What is the InChIKey of 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol?

The InChIKey is OUJWJXGNNMPUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34O2/c1-5-6-8-11-21-17-25(28)27(24-16-20(4)14-15-23(24)19(2)3)26(18-21)29-22-12-9-7-10-13-22/h7,9-10,12-13,16-18,23-24,28H,2,5-6,8,11,14-15H2,1,3-4H3.

What are the key properties of 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol?

2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol has a molecular weight of 390.57 g/mol, XLogP of 7.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-phenoxyphenol is sourced from PubChem (CID 134535502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).