[2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate

C22H20O6 — CID 10894199

IUPAC[2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate
SMILESCOc1ccc(-c2cc(O)c(-c3ccc(OC)cc3)c(OC(C)=O)c2O)cc1
InChIInChI=1S/C22H20O6/c1-13(23)28-22-20(15-6-10-17(27-3)11-7-15)19(24)12-18(21(22)25)14-4-8-16(26-2)9-5-14/h4-12,24-25H,1-3H3
InChIKeyPYWPPSLUWAHILN-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.37
Rot. Bonds5

About [2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate

[2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate (PubChem CID 10894199) has the molecular formula C22H20O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate.

Molecular Properties

Compound Name[2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate
PubChem CID10894199
Molecular FormulaC22H20O6
Molecular Weight380.40 g/mol
Exact Mass380.13
IUPAC Name[2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate
SMILESCOc1ccc(-c2cc(O)c(-c3ccc(OC)cc3)c(OC(C)=O)c2O)cc1
InChIInChI=1S/C22H20O6/c1-13(23)28-22-20(15-6-10-17(27-3)11-7-15)19(24)12-18(21(22)25)14-4-8-16(26-2)9-5-14/h4-12,24-25H,1-3H3
InChIKeyPYWPPSLUWAHILN-UHFFFAOYSA-N
XLogP4.37
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-2-(4-methoxyphenyl)-5-phenylphenol
CID 139590135
[5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate
CID 164597980
[8-acetyloxy-3-(4-methoxyphenyl)-2-oxochromen-7-yl] acetate
CID 23371939
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol
CID 53262748
5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid
CID 57314775
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
1,3,6,8-tetrakis(4-methoxyphenyl)pyrene-2,7-diol
CID 163210794
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
4-methoxy-2,5-diphenylbenzene-1,3-diol
CID 53244203

Frequently Asked Questions

What is the IUPAC name of [2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate?
The IUPAC name of [2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate (CID 10894199) is [2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate.
What is the SMILES notation for [2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate?
The canonical SMILES for [2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate is COc1ccc(-c2cc(O)c(-c3ccc(OC)cc3)c(OC(C)=O)c2O)cc1.
What is the InChIKey of [2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate?
The InChIKey is PYWPPSLUWAHILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O6/c1-13(23)28-22-20(15-6-10-17(27-3)11-7-15)19(24)12-18(21(22)25)14-4-8-16(26-2)9-5-14/h4-12,24-25H,1-3H3.
What are the key properties of [2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate?
[2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate has a molecular weight of 380.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dihydroxy-3,6-bis(4-methoxyphenyl)phenyl] acetate is sourced from PubChem (CID 10894199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).