3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene

C166H162ClF3O21 — CID 158887509

About 3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene

3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene (PubChem CID 158887509) has the molecular formula C166H162ClF3O21 and a molecular weight of 2585.55 g/mol. Its IUPAC name is 3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene.

Molecular Properties

• Compound Name: 3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene
• PubChem CID: 158887509
• Molecular Formula: C166H162ClF3O21
• Molecular Weight: 2585.55 g/mol
• Exact Mass: 2583.12
• IUPAC Name: 3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene
• SMILES: C=CCOc1cc(CCCC)ccc1C1=Cc2ccc3c(c2OC1)C=CC(C)(C)O3.C=CCOc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c(OCC=C)c1C.C=CCOc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c(OCC=C)c1Cl.CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(C(F)(F)F)cc2OCc2ccccc2)=C3)O1.CCOc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)cc1OCc1ccccc1.CCc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)cc1OCc1ccccc1
• InChI: InChI=1S/C29H28O4.C29H28O3.C28H23F3O3.C27H28O4.C27H30O3.C26H25ClO4/c1-4-30-26-13-10-21(17-27(26)31-18-20-8-6-5-7-9-20)23-16-22-11-12-25-24(28(22)32-19-23)14-15-29(2,3)33-25;1-4-21-10-11-22(17-27(21)30-18-20-8-6-5-7-9-20)24-16-23-12-13-26-25(28(23)31-19-24)14-15-29(2,3)32-26;1-27(2)13-12-23-24(34-27)11-8-19-14-20(17-33-26(19)23)22-10-9-21(28(29,30)31)15-25(22)32-16-18-6-4-3-5-7-18;1-6-14-28-23-11-9-21(25(18(23)3)29-15-7-2)20-16-19-8-10-24-22(26(19)30-17-20)12-13-27(4,5)31-24;1-5-7-8-19-9-11-22(25(16-19)28-15-6-2)21-17-20-10-12-24-23(26(20)29-18-21)13-14-27(3,4)30-24;1-5-13-28-22-10-8-19(25(23(22)27)29-14-6-2)18-15-17-7-9-21-20(24(17)30-16-18)11-12-26(3,4)31-21/h5-17H,4,18-19H2,1-3H3;5-17H,4,18-19H2,1-3H3;3-15H,16-17H2,1-2H3;6-13,16H,1-2,14-15,17H2,3-5H3;6,9-14,16-17H,2,5,7-8,15,18H2,1,3-4H3;5-12,15H,1-2,13-14,16H2,3-4H3
• InChIKey: JDUXPZPHJJEXAT-UHFFFAOYSA-N
• XLogP: 40.67
• TPSA: 193.83 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 36
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2585.55
LogP ≤ 5	40.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene?

The IUPAC name of 3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene (CID 158887509) is 3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene.

What is the SMILES notation for 3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene?

The canonical SMILES for 3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene is C=CCOc1cc(CCCC)ccc1C1=Cc2ccc3c(c2OC1)C=CC(C)(C)O3.C=CCOc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c(OCC=C)c1C.C=CCOc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c(OCC=C)c1Cl.CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(C(F)(F)F)cc2OCc2ccccc2)=C3)O1.CCOc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)cc1OCc1ccccc1.CCc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)cc1OCc1ccccc1.

What is the InChIKey of 3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene?

The InChIKey is JDUXPZPHJJEXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4.C29H28O3.C28H23F3O3.C27H28O4.C27H30O3.C26H25ClO4/c1-4-30-26-13-10-21(17-27(26)31-18-20-8-6-5-7-9-20)23-16-22-11-12-25-24(28(22)32-19-23)14-15-29(2,3)33-25;1-4-21-10-11-22(17-27(21)30-18-20-8-6-5-7-9-20)24-16-23-12-13-26-25(28(23)31-19-24)14-15-29(2,3)32-26;1-27(2)13-12-23-24(34-27)11-8-19-14-20(17-33-26(19)23)22-10-9-21(28(29,30)31)15-25(22)32-16-18-6-4-3-5-7-18;1-6-14-28-23-11-9-21(25(18(23)3)29-15-7-2)20-16-19-8-10-24-22(26(19)30-17-20)12-13-27(4,5)31-24;1-5-7-8-19-9-11-22(25(16-19)28-15-6-2)21-17-20-10-12-24-23(26(20)29-18-21)13-14-27(3,4)30-24;1-5-13-28-22-10-8-19(25(23(22)27)29-14-6-2)18-15-17-7-9-21-20(24(17)30-16-18)11-12-26(3,4)31-21/h5-17H,4,18-19H2,1-3H3;5-17H,4,18-19H2,1-3H3;3-15H,16-17H2,1-2H3;6-13,16H,1-2,14-15,17H2,3-5H3;6,9-14,16-17H,2,5,7-8,15,18H2,1,3-4H3;5-12,15H,1-2,13-14,16H2,3-4H3.

What are the key properties of 3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene?

3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene has a molecular weight of 2585.55 g/mol, XLogP of 40.67, 36 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-[3-chloro-2,4-bis(prop-2-enoxy)phenyl]-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(prop-2-enoxy)phenyl]-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]-2H-pyrano[2,3-f]chromene;3-(4-ethoxy-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;3-(4-ethyl-3-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene is sourced from PubChem (CID 158887509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).