bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone

C76H72O20 — CID 159984364

About bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone

bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone (PubChem CID 159984364) has the molecular formula C76H72O20 and a molecular weight of 1305.39 g/mol. Its IUPAC name is bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone.

Molecular Properties

• Compound Name: bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone
• PubChem CID: 159984364
• Molecular Formula: C76H72O20
• Molecular Weight: 1305.39 g/mol
• Exact Mass: 1304.46
• IUPAC Name: bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone
• SMILES: CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1.COc1ccc(C(=O)c2ccccc2)c(O)c1O.O=C(c1ccccc1)c1cc(O)c(O)c(O)c1O.O=C(c1ccccc1)c1ccc(O)cc1O
• InChI: InChI=1S/C21H26O3.C15H14O5.C14H12O4.C13H10O5.C13H10O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17;1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17;1-18-11-8-7-10(13(16)14(11)17)12(15)9-5-3-2-4-6-9;14-9-6-8(11(16)13(18)12(9)17)10(15)7-4-2-1-3-5-7;14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h7-9,11-14,16,22H,2-6,10,15H2,1H3;3-8,16-17H,1-2H3;2-8,16-17H,1H3;1-6,14,16-18H;1-8,14-15H
• InChIKey: OGDJTGIIWCSXFA-UHFFFAOYSA-N
• XLogP: 14.11
• TPSA: 344.80 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1305.39
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone?

The IUPAC name of bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone (CID 159984364) is bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone.

What is the SMILES notation for bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone?

The canonical SMILES for bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone is CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1.COc1ccc(C(=O)c2ccccc2)c(O)c1O.O=C(c1ccccc1)c1cc(O)c(O)c(O)c1O.O=C(c1ccccc1)c1ccc(O)cc1O.

What is the InChIKey of bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone?

The InChIKey is OGDJTGIIWCSXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3.C15H14O5.C14H12O4.C13H10O5.C13H10O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17;1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17;1-18-11-8-7-10(13(16)14(11)17)12(15)9-5-3-2-4-6-9;14-9-6-8(11(16)13(18)12(9)17)10(15)7-4-2-1-3-5-7;14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h7-9,11-14,16,22H,2-6,10,15H2,1H3;3-8,16-17H,1-2H3;2-8,16-17H,1H3;1-6,14,16-18H;1-8,14-15H.

What are the key properties of bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone?

bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone has a molecular weight of 1305.39 g/mol, XLogP of 14.11, 21 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone is sourced from PubChem (CID 159984364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).