2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol

C128H184O12 — CID 165085396

About 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol (PubChem CID 165085396) has the molecular formula C128H184O12 and a molecular weight of 1914.87 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol.

Molecular Properties

• Compound Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
• PubChem CID: 165085396
• Molecular Formula: C128H184O12
• Molecular Weight: 1914.87 g/mol
• Exact Mass: 1913.38
• IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
• SMILES: C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1O.C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1OC.CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(OC)c1.CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.CCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
• InChI: InChI=1S/C22H32O2.C22H34O2.C21H26O2.2C21H30O2.C21H32O2/c1-6-7-8-9-17-13-20(23)22(21(14-17)24-5)19-12-16(4)10-11-18(19)15(2)3;1-6-7-8-12-19-15-21(23)20(22(16-19)24-5)14-13-18(4)11-9-10-17(2)3;1-5-6-7-8-15-12-18(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;1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3;1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h12-14,18-19,23H,2,6-11H2,1,3-5H3;10,13,15-16,23H,6-9,11-12,14H2,1-5H3;9-13,22H,5-8H2,1-4H3;9,11,13-15,22H,5-8,10,12H2,1-4H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3;9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b;18-13+;;;;17-12+/t18-,19+;;;;17-,18+;/m1...1./s1
• InChIKey: VUZRDMCPDAEQCC-BXWJEHBRSA-N
• XLogP: 36.19
• TPSA: 198.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 43
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1914.87
LogP ≤ 5	36.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

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]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol?

The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol (CID 165085396) is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol.

What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol?

The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol is C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1O.C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1OC.CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(OC)c1.CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.CCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2.

What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol?

The InChIKey is VUZRDMCPDAEQCC-BXWJEHBRSA-N. The full InChI is InChI=1S/C22H32O2.C22H34O2.C21H26O2.2C21H30O2.C21H32O2/c1-6-7-8-9-17-13-20(23)22(21(14-17)24-5)19-12-16(4)10-11-18(19)15(2)3;1-6-7-8-12-19-15-21(23)20(22(16-19)24-5)14-13-18(4)11-9-10-17(2)3;1-5-6-7-8-15-12-18(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;1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3;1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h12-14,18-19,23H,2,6-11H2,1,3-5H3;10,13,15-16,23H,6-9,11-12,14H2,1-5H3;9-13,22H,5-8H2,1-4H3;9,11,13-15,22H,5-8,10,12H2,1-4H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3;9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b;18-13+;;;;17-12+/t18-,19+;;;;17-,18+;/m1...1./s1.

What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol?

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol has a molecular weight of 1914.87 g/mol, XLogP of 36.19, 43 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;3-methoxy-2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol is sourced from PubChem (CID 165085396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).