3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene

C176H162ClFO26S3 — CID 160691056

About 3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene

3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene (PubChem CID 160691056) has the molecular formula C176H162ClFO26S3 and a molecular weight of 2843.86 g/mol. Its IUPAC name is 3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene.

Molecular Properties

• Compound Name: 3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene
• PubChem CID: 160691056
• Molecular Formula: C176H162ClFO26S3
• Molecular Weight: 2843.86 g/mol
• Exact Mass: 2841.02
• IUPAC Name: 3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene
• SMILES: CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(Cl)cc2OCc2ccccc2)=C3)O1.CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(F)cc2OCc2ccccc2)=C3)O1.CCCc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c(OS(=O)(=O)c2ccc(C)cc2)c1.CCc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c(OS(=O)(=O)c2ccc(C)cc2)c1.COc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c(OS(=O)(=O)c2ccc(C)cc2)c1.Cc1c(OCc2ccccc2)ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c1OCc1ccccc1
• InChI: InChI=1S/C35H32O4.C30H30O5S.C29H28O5S.C28H26O6S.C27H23ClO3.C27H23FO3/c1-24-31(36-21-25-10-6-4-7-11-25)17-15-29(33(24)37-22-26-12-8-5-9-13-26)28-20-27-14-16-32-30(34(27)38-23-28)18-19-35(2,3)39-32;1-5-6-21-9-13-25(28(17-21)35-36(31,32)24-11-7-20(2)8-12-24)23-18-22-10-14-27-26(29(22)33-19-23)15-16-30(3,4)34-27;1-5-20-8-12-24(27(16-20)34-35(30,31)23-10-6-19(2)7-11-23)22-17-21-9-13-26-25(28(21)32-18-22)14-15-29(3,4)33-26;1-18-5-9-22(10-6-18)35(29,30)34-26-16-21(31-4)8-11-23(26)20-15-19-7-12-25-24(27(19)32-17-20)13-14-28(2,3)33-25;2*1-27(2)13-12-23-24(31-27)11-8-19-14-20(17-30-26(19)23)22-10-9-21(28)15-25(22)29-16-18-6-4-3-5-7-18/h4-20H,21-23H2,1-3H3;7-18H,5-6,19H2,1-4H3;6-17H,5,18H2,1-4H3;5-16H,17H2,1-4H3;2*3-15H,16-17H2,1-2H3
• InChIKey: RPKHCVFJGULBKH-UHFFFAOYSA-N
• XLogP: 40.99
• TPSA: 287.02 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2843.86
LogP ≤ 5	40.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene?

The IUPAC name of 3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene (CID 160691056) is 3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene.

What is the SMILES notation for 3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene?

The canonical SMILES for 3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene is CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(Cl)cc2OCc2ccccc2)=C3)O1.CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(F)cc2OCc2ccccc2)=C3)O1.CCCc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c(OS(=O)(=O)c2ccc(C)cc2)c1.CCc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c(OS(=O)(=O)c2ccc(C)cc2)c1.COc1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c(OS(=O)(=O)c2ccc(C)cc2)c1.Cc1c(OCc2ccccc2)ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c1OCc1ccccc1.

What is the InChIKey of 3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene?

The InChIKey is RPKHCVFJGULBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32O4.C30H30O5S.C29H28O5S.C28H26O6S.C27H23ClO3.C27H23FO3/c1-24-31(36-21-25-10-6-4-7-11-25)17-15-29(33(24)37-22-26-12-8-5-9-13-26)28-20-27-14-16-32-30(34(27)38-23-28)18-19-35(2,3)39-32;1-5-6-21-9-13-25(28(17-21)35-36(31,32)24-11-7-20(2)8-12-24)23-18-22-10-14-27-26(29(22)33-19-23)15-16-30(3,4)34-27;1-5-20-8-12-24(27(16-20)34-35(30,31)23-10-6-19(2)7-11-23)22-17-21-9-13-26-25(28(21)32-18-22)14-15-29(3,4)33-26;1-18-5-9-22(10-6-18)35(29,30)34-26-16-21(31-4)8-11-23(26)20-15-19-7-12-25-24(27(19)32-17-20)13-14-28(2,3)33-25;2*1-27(2)13-12-23-24(31-27)11-8-19-14-20(17-30-26(19)23)22-10-9-21(28)15-25(22)29-16-18-6-4-3-5-7-18/h4-20H,21-23H2,1-3H3;7-18H,5-6,19H2,1-4H3;6-17H,5,18H2,1-4H3;5-16H,17H2,1-4H3;2*3-15H,16-17H2,1-2H3.

What are the key properties of 3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene?

3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene has a molecular weight of 2843.86 g/mol, XLogP of 40.99, 31 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene;8,8-dimethyl-3-[3-methyl-2,4-bis(phenylmethoxy)phenyl]-2H-pyrano[2,3-f]chromene;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-ethylphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenyl] 4-methylbenzenesulfonate;[2-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-5-propylphenyl] 4-methylbenzenesulfonate;3-(4-fluoro-2-phenylmethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene is sourced from PubChem (CID 160691056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).