3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol

C95H94O17 — CID 158216632

About 3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol

3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 158216632) has the molecular formula C95H94O17 and a molecular weight of 1507.78 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

• Compound Name: 3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
• PubChem CID: 158216632
• Molecular Formula: C95H94O17
• Molecular Weight: 1507.78 g/mol
• Exact Mass: 1506.65
• IUPAC Name: 3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
• SMILES: COc1ccc(C2c3ccc(O)c(C)c3OCC2c2ccc(C)c(O)c2)cc1.COc1ccc(C2c3ccc(O)c(C)c3OCC2c2cccc(O)c2)cc1.COc1ccc(C2c3ccc(O)c(C)c3OCC2c2cccc(OC)c2)cc1.COc1ccc(C2c3ccc(OC)c(C)c3OCC2c2ccc(O)c(O)c2)cc1
• InChI: InChI=1S/C24H24O5.2C24H24O4.C23H22O4/c1-14-22(28-3)11-9-18-23(15-4-7-17(27-2)8-5-15)19(13-29-24(14)18)16-6-10-20(25)21(26)12-16;1-14-4-5-17(12-22(14)26)20-13-28-24-15(2)21(25)11-10-19(24)23(20)16-6-8-18(27-3)9-7-16;1-15-22(25)12-11-20-23(16-7-9-18(26-2)10-8-16)21(14-28-24(15)20)17-5-4-6-19(13-17)27-3;1-14-21(25)11-10-19-22(15-6-8-18(26-2)9-7-15)20(13-27-23(14)19)16-4-3-5-17(24)12-16/h4-12,19,23,25-26H,13H2,1-3H3;4-12,20,23,25-26H,13H2,1-3H3;4-13,21,23,25H,14H2,1-3H3;3-12,20,22,24-25H,13H2,1-2H3
• InChIKey: GCSQNWOKMWNQQW-UHFFFAOYSA-N
• XLogP: 19.51
• TPSA: 233.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1507.78
LogP ≤ 5	19.51
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?

The IUPAC name of 3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol (CID 158216632) is 3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol.

What is the SMILES notation for 3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?

The canonical SMILES for 3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol is COc1ccc(C2c3ccc(O)c(C)c3OCC2c2ccc(C)c(O)c2)cc1.COc1ccc(C2c3ccc(O)c(C)c3OCC2c2cccc(O)c2)cc1.COc1ccc(C2c3ccc(O)c(C)c3OCC2c2cccc(OC)c2)cc1.COc1ccc(C2c3ccc(OC)c(C)c3OCC2c2ccc(O)c(O)c2)cc1.

What is the InChIKey of 3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?

The InChIKey is GCSQNWOKMWNQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5.2C24H24O4.C23H22O4/c1-14-22(28-3)11-9-18-23(15-4-7-17(27-2)8-5-15)19(13-29-24(14)18)16-6-10-20(25)21(26)12-16;1-14-4-5-17(12-22(14)26)20-13-28-24-15(2)21(25)11-10-19(24)23(20)16-6-8-18(27-3)9-7-16;1-15-22(25)12-11-20-23(16-7-9-18(26-2)10-8-16)21(14-28-24(15)20)17-5-4-6-19(13-17)27-3;1-14-21(25)11-10-19-22(15-6-8-18(26-2)9-7-15)20(13-27-23(14)19)16-4-3-5-17(24)12-16/h4-12,19,23,25-26H,13H2,1-3H3;4-12,20,23,25-26H,13H2,1-3H3;4-13,21,23,25H,14H2,1-3H3;3-12,20,22,24-25H,13H2,1-2H3.

What are the key properties of 3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?

3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 1507.78 g/mol, XLogP of 19.51, 14 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 158216632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).