9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol

C125H122O29 — CID 162158645

About 9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol

9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol (PubChem CID 162158645) has the molecular formula C125H122O29 and a molecular weight of 2088.32 g/mol. Its IUPAC name is 9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol.

Molecular Properties

• Compound Name: 9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol
• PubChem CID: 162158645
• Molecular Formula: C125H122O29
• Molecular Weight: 2088.32 g/mol
• Exact Mass: 2086.81
• IUPAC Name: 9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol
• SMILES: COc1cc(OC)c2c(c1)C(O)c1cc(OC)cc(OC)c1C2O.COc1ccc2c(c1)C(O)c1cc(OC)ccc1C2O.COc1ccc2c(c1)C(O)c1cc(OC)ccc1C2O.COc1ccc2c(c1)C(O)c1ccccc1C2O.COc1ccc2c(c1)C(O)c1ccccc1C2O.COc1cccc2c1C(O)c1c(OC)cccc1C2O.COc1cccc2c1C(O)c1ccccc1C2O.OC1c2ccccc2C(O)c2ccccc21
• InChI: InChI=1S/C18H20O6.3C16H16O4.3C15H14O3.C14H12O2/c1-21-9-5-11-15(13(7-9)23-3)18(20)16-12(17(11)19)6-10(22-2)8-14(16)24-4;2*1-19-9-3-5-11-13(7-9)16(18)14-8-10(20-2)4-6-12(14)15(11)17;1-19-11-7-3-5-9-13(11)16(18)14-10(15(9)17)6-4-8-12(14)20-2;1-18-12-8-4-7-11-13(12)15(17)10-6-3-2-5-9(10)14(11)16;2*1-18-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h5-8,17-20H,1-4H3;3*3-8,15-18H,1-2H3;3*2-8,14-17H,1H3;1-8,13-16H
• InChIKey: ZMDZOGZCTZEGFV-UHFFFAOYSA-N
• XLogP: 17.42
• TPSA: 443.67 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.32
LogP ≤ 5	17.42
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol?

The IUPAC name of 9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol (CID 162158645) is 9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol.

What is the SMILES notation for 9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol?

The canonical SMILES for 9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol is COc1cc(OC)c2c(c1)C(O)c1cc(OC)cc(OC)c1C2O.COc1ccc2c(c1)C(O)c1cc(OC)ccc1C2O.COc1ccc2c(c1)C(O)c1cc(OC)ccc1C2O.COc1ccc2c(c1)C(O)c1ccccc1C2O.COc1ccc2c(c1)C(O)c1ccccc1C2O.COc1cccc2c1C(O)c1c(OC)cccc1C2O.COc1cccc2c1C(O)c1ccccc1C2O.OC1c2ccccc2C(O)c2ccccc21.

What is the InChIKey of 9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol?

The InChIKey is ZMDZOGZCTZEGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6.3C16H16O4.3C15H14O3.C14H12O2/c1-21-9-5-11-15(13(7-9)23-3)18(20)16-12(17(11)19)6-10(22-2)8-14(16)24-4;2*1-19-9-3-5-11-13(7-9)16(18)14-8-10(20-2)4-6-12(14)15(11)17;1-19-11-7-3-5-9-13(11)16(18)14-10(15(9)17)6-4-8-12(14)20-2;1-18-12-8-4-7-11-13(12)15(17)10-6-3-2-5-9(10)14(11)16;2*1-18-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h5-8,17-20H,1-4H3;3*3-8,15-18H,1-2H3;3*2-8,14-17H,1H3;1-8,13-16H.

What are the key properties of 9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol?

9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol has a molecular weight of 2088.32 g/mol, XLogP of 17.42, 13 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol is sourced from PubChem (CID 162158645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).