(3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate

C16H16O6 — CID 86052866

IUPAC(3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2cc(O)cc(O)c2)c(OC)c1
InChIInChI=1S/C16H16O6/c1-20-13-4-3-10(15(9-13)21-2)5-16(19)22-14-7-11(17)6-12(18)8-14/h3-4,6-9,17-18H,5H2,1-2H3
InChIKeyBEVWOOGZYZMOBQ-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.26
Rot. Bonds5

About (3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate

(3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate (PubChem CID 86052866) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate
PubChem CID86052866
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name(3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2cc(O)cc(O)c2)c(OC)c1
InChIInChI=1S/C16H16O6/c1-20-13-4-3-10(15(9-13)21-2)5-16(19)22-14-7-11(17)6-12(18)8-14/h3-4,6-9,17-18H,5H2,1-2H3
InChIKeyBEVWOOGZYZMOBQ-UHFFFAOYSA-N
XLogP2.26
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-2-fluorophenyl) 2-(2,4-dimethoxyphenyl)acetate
CID 55364110
2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293
[4-(thiophene-2-carbonylamino)phenyl] 2-(2,4-dimethoxyphenyl)acetate
CID 39768822
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate
CID 55368218
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385283
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate?
The IUPAC name of (3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate (CID 86052866) is (3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate.
What is the SMILES notation for (3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate?
The canonical SMILES for (3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)Oc2cc(O)cc(O)c2)c(OC)c1.
What is the InChIKey of (3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate?
The InChIKey is BEVWOOGZYZMOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-20-13-4-3-10(15(9-13)21-2)5-16(19)22-14-7-11(17)6-12(18)8-14/h3-4,6-9,17-18H,5H2,1-2H3.
What are the key properties of (3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate?
(3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate has a molecular weight of 304.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 86052866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).