(3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate

C28H30O8 — CID 10962054

IUPAC(3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate
SMILESCc1cc(O)c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(C)c3O)c(C)c2O)c1C
InChIInChI=1S/C28H30O8/c1-11-9-20(30)17(7)25(13(11)3)35-28(34)22-14(4)15(5)26(18(8)24(22)32)36-27(33)21-12(2)10-19(29)16(6)23(21)31/h9-10,29-32H,1-8H3
InChIKeyUPKGXNUGBGHQFZ-UHFFFAOYSA-N
MW494.54 g/mol
LogP5.41
Rot. Bonds4

About (3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate

(3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate (PubChem CID 10962054) has the molecular formula C28H30O8 and a molecular weight of 494.54 g/mol. Its IUPAC name is (3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate.

Molecular Properties

Compound Name(3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate
PubChem CID10962054
Molecular FormulaC28H30O8
Molecular Weight494.54 g/mol
Exact Mass494.19
IUPAC Name(3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate
SMILESCc1cc(O)c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(C)c3O)c(C)c2O)c1C
InChIInChI=1S/C28H30O8/c1-11-9-20(30)17(7)25(13(11)3)35-28(34)22-14(4)15(5)26(18(8)24(22)32)36-27(33)21-12(2)10-19(29)16(6)23(21)31/h9-10,29-32H,1-8H3
InChIKeyUPKGXNUGBGHQFZ-UHFFFAOYSA-N
XLogP5.41
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.54
LogP ≤ 55.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate?
The IUPAC name of (3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate (CID 10962054) is (3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate.
What is the SMILES notation for (3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate?
The canonical SMILES for (3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate is Cc1cc(O)c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(C)c3O)c(C)c2O)c1C.
What is the InChIKey of (3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate?
The InChIKey is UPKGXNUGBGHQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O8/c1-11-9-20(30)17(7)25(13(11)3)35-28(34)22-14(4)15(5)26(18(8)24(22)32)36-27(33)21-12(2)10-19(29)16(6)23(21)31/h9-10,29-32H,1-8H3.
What are the key properties of (3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate?
(3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate has a molecular weight of 494.54 g/mol, XLogP of 5.41, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,5,6-trimethylphenyl) 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate is sourced from PubChem (CID 10962054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).