2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol

C80H110O8 — CID 157227959

About 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol (PubChem CID 157227959) has the molecular formula C80H110O8 and a molecular weight of 1199.75 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol.

Molecular Properties

• Compound Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
• PubChem CID: 157227959
• Molecular Formula: C80H110O8
• Molecular Weight: 1199.75 g/mol
• Exact Mass: 1198.82
• IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
• SMILES: CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.CCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2.CCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.CCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
• InChI: InChI=1S/C21H26O2.C21H30O2.C19H26O2.C19H28O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15;1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3;1-5-7-15-12-17(20)16-9-11-19(4,21-18(16)13-15)10-6-8-14(2)3;1-5-7-16-12-18(20)17(19(21)13-16)11-10-15(4)9-6-8-14(2)3/h9-13,22H,5-8H2,1-4H3;9,11,13-15,22H,5-8,10,12H2,1-4H3;8-9,11-13,20H,5-7,10H2,1-4H3;8,10,12-13,20-21H,5-7,9,11H2,1-4H3/b;;;15-10+
• InChIKey: ATTNADJNVHDYCW-LYHGCRBRSA-N
• XLogP: 22.30
• TPSA: 128.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1199.75
LogP ≤ 5	22.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

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-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol?

The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol (CID 157227959) is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol.

What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol?

The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol is CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.CCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2.CCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.CCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2.

What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol?

The InChIKey is ATTNADJNVHDYCW-LYHGCRBRSA-N. The full InChI is InChI=1S/C21H26O2.C21H30O2.C19H26O2.C19H28O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15;1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3;1-5-7-15-12-17(20)16-9-11-19(4,21-18(16)13-15)10-6-8-14(2)3;1-5-7-16-12-18(20)17(19(21)13-16)11-10-15(4)9-6-8-14(2)3/h9-13,22H,5-8H2,1-4H3;9,11,13-15,22H,5-8,10,12H2,1-4H3;8-9,11-13,20H,5-7,10H2,1-4H3;8,10,12-13,20-21H,5-7,9,11H2,1-4H3/b;;;15-10+.

What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol?

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol has a molecular weight of 1199.75 g/mol, XLogP of 22.30, 23 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol is sourced from PubChem (CID 157227959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).