(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone

C28H34O4 — CID 73105499

About (2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone

(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone (PubChem CID 73105499) has the molecular formula C28H34O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is (2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone.

Molecular Properties

• Compound Name: (2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
• PubChem CID: 73105499
• Molecular Formula: C28H34O4
• Molecular Weight: 434.58 g/mol
• Exact Mass: 434.25
• IUPAC Name: (2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
• SMILES: COc1c(C)c(O)c(C)c(O)c1C(=O)C1CC(CCC=C(C)C)=CCC1c1ccccc1
• InChI: InChI=1S/C28H34O4/c1-17(2)10-9-11-20-14-15-22(21-12-7-6-8-13-21)23(16-20)27(31)24-26(30)18(3)25(29)19(4)28(24)32-5/h6-8,10,12-14,22-23,29-30H,9,11,15-16H2,1-5H3
• InChIKey: XNIZQTNFDVHYAF-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 66.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.58
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone?

The IUPAC name of (2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone (CID 73105499) is (2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone.

What is the SMILES notation for (2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone?

The canonical SMILES for (2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone is COc1c(C)c(O)c(C)c(O)c1C(=O)C1CC(CCC=C(C)C)=CCC1c1ccccc1.

What is the InChIKey of (2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone?

The InChIKey is XNIZQTNFDVHYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O4/c1-17(2)10-9-11-20-14-15-22(21-12-7-6-8-13-21)23(16-20)27(31)24-26(30)18(3)25(29)19(4)28(24)32-5/h6-8,10,12-14,22-23,29-30H,9,11,15-16H2,1-5H3.

What are the key properties of (2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone?

(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone has a molecular weight of 434.58 g/mol, XLogP of 6.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone is sourced from PubChem (CID 73105499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).