(2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate

C91H72O43 — CID 159081358

About (2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate

(2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate (PubChem CID 159081358) has the molecular formula C91H72O43 and a molecular weight of 1853.53 g/mol. Its IUPAC name is (2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate.

Molecular Properties

• Compound Name: (2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate
• PubChem CID: 159081358
• Molecular Formula: C91H72O43
• Molecular Weight: 1853.53 g/mol
• Exact Mass: 1852.34
• IUPAC Name: (2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate
• SMILES: O.O=C(c1ccc(O)c(O)c1)c1ccc(O)c(O)c1O.O=C(c1ccc(O)c(O)c1O)c1c(O)cccc1O.O=C(c1cccc(O)c1)c1c(O)cc(O)c(O)c1O.O=C(c1cccc(O)c1O)c1ccc(O)c(O)c1O.O=C(c1ccccc1)c1c(O)c(O)c(O)c(O)c1O.O=C(c1ccccc1O)c1c(O)cc(O)c(O)c1O.O=C(c1ccccc1O)c1cc(O)c(O)c(O)c1O
• InChI: InChI=1S/7C13H10O6.H2O/c14-8-3-1-6(5-10(8)16)11(17)7-2-4-9(15)13(19)12(7)18;14-7-3-1-2-6(4-7)11(17)10-8(15)5-9(16)12(18)13(10)19;14-7-2-1-3-8(15)10(7)11(17)6-4-5-9(16)13(19)12(6)18;14-8-3-1-2-6(11(8)17)10(16)7-4-5-9(15)13(19)12(7)18;14-8-4-2-1-3-6(8)10(16)7-5-9(15)12(18)13(19)11(7)17;14-7-4-2-1-3-6(7)11(17)10-8(15)5-9(16)12(18)13(10)19;14-8(6-4-2-1-3-5-6)7-9(15)11(17)13(19)12(18)10(7)16;/h3*1-5,14-16,18-19H;2*1-5,14-15,17-19H;1-5,14-16,18-19H;1-5,15-19H;1H2
• InChIKey: JMRLEFBRKGYYHV-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 859.04 Ų
• H-Bond Donors: 35
• H-Bond Acceptors: 42
• Rotatable Bonds: 14
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1853.53
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	35
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate?

The IUPAC name of (2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate (CID 159081358) is (2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate.

What is the SMILES notation for (2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate?

The canonical SMILES for (2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate is O.O=C(c1ccc(O)c(O)c1)c1ccc(O)c(O)c1O.O=C(c1ccc(O)c(O)c1O)c1c(O)cccc1O.O=C(c1cccc(O)c1)c1c(O)cc(O)c(O)c1O.O=C(c1cccc(O)c1O)c1ccc(O)c(O)c1O.O=C(c1ccccc1)c1c(O)c(O)c(O)c(O)c1O.O=C(c1ccccc1O)c1c(O)cc(O)c(O)c1O.O=C(c1ccccc1O)c1cc(O)c(O)c(O)c1O.

What is the InChIKey of (2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate?

The InChIKey is JMRLEFBRKGYYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/7C13H10O6.H2O/c14-8-3-1-6(5-10(8)16)11(17)7-2-4-9(15)13(19)12(7)18;14-7-3-1-2-6(4-7)11(17)10-8(15)5-9(16)12(18)13(10)19;14-7-2-1-3-8(15)10(7)11(17)6-4-5-9(16)13(19)12(6)18;14-8-3-1-2-6(11(8)17)10(16)7-4-5-9(15)13(19)12(7)18;14-8-4-2-1-3-6(8)10(16)7-5-9(15)12(18)13(19)11(7)17;14-7-4-2-1-3-6(7)11(17)10-8(15)5-9(16)12(18)13(10)19;14-8(6-4-2-1-3-5-6)7-9(15)11(17)13(19)12(18)10(7)16;/h3*1-5,14-16,18-19H;2*1-5,14-15,17-19H;1-5,14-16,18-19H;1-5,15-19H;1H2.

What are the key properties of (2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate?

(2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate has a molecular weight of 1853.53 g/mol, XLogP of 9.29, 14 rotatable bonds, 35 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate is sourced from PubChem (CID 159081358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).