5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol

C21H24O7 — CID 123678061

About 5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol

5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol (PubChem CID 123678061) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol.

Molecular Properties

• Compound Name: 5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol
• PubChem CID: 123678061
• Molecular Formula: C21H24O7
• Molecular Weight: 388.42 g/mol
• Exact Mass: 388.15
• IUPAC Name: 5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol
• SMILES: COc1cc2c(c(OC)c1OC)CCC(O)C=C2c1cc(O)c(OC)c(O)c1
• InChI: InChI=1S/C21H24O7/c1-25-18-10-15-13(19(26-2)21(18)28-4)6-5-12(22)9-14(15)11-7-16(23)20(27-3)17(24)8-11/h7-10,12,22-24H,5-6H2,1-4H3
• InChIKey: FYCNRHZDBMGGLM-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 97.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.42
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol?

The IUPAC name of 5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol (CID 123678061) is 5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol.

What is the SMILES notation for 5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol?

The canonical SMILES for 5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol is COc1cc2c(c(OC)c1OC)CCC(O)C=C2c1cc(O)c(OC)c(O)c1.

What is the InChIKey of 5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol?

The InChIKey is FYCNRHZDBMGGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O7/c1-25-18-10-15-13(19(26-2)21(18)28-4)6-5-12(22)9-14(15)11-7-16(23)20(27-3)17(24)8-11/h7-10,12,22-24H,5-6H2,1-4H3.

What are the key properties of 5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol?

5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol has a molecular weight of 388.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-hydroxy-1,2,3-trimethoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-methoxybenzene-1,3-diol is sourced from PubChem (CID 123678061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).