2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate

C16H16O6 — CID 2647186

IUPAC2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
SMILESCOc1ccc(OCCOC(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H16O6/c1-20-12-3-5-13(6-4-12)21-8-9-22-16(19)14-7-2-11(17)10-15(14)18/h2-7,10,17-18H,8-9H2,1H3
InChIKeyPRMVHLQGFGLIFJ-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.34
Rot. Bonds6

About 2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate

2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate (PubChem CID 2647186) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
PubChem CID2647186
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
SMILESCOc1ccc(OCCOC(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H16O6/c1-20-12-3-5-13(6-4-12)21-8-9-22-16(19)14-7-2-11(17)10-15(14)18/h2-7,10,17-18H,8-9H2,1H3
InChIKeyPRMVHLQGFGLIFJ-UHFFFAOYSA-N
XLogP2.34
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate
CID 7787466
2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate
CID 19856989
2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate
CID 139593761
diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride
CID 44668198
2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc
CID 67821709
methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate
CID 586358
but-3-ynyl 2,4-dihydroxybenzoate
CID 18355636
[(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate
CID 55562993
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2645350
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate
CID 3658733
3-tert-butyl-2-hydroxybenzoic acid;2-hydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid
CID 161441578
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431955

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate (CID 2647186) is 2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate is COc1ccc(OCCOC(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate?
The InChIKey is PRMVHLQGFGLIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-20-12-3-5-13(6-4-12)21-8-9-22-16(19)14-7-2-11(17)10-15(14)18/h2-7,10,17-18H,8-9H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate?
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate has a molecular weight of 304.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate is sourced from PubChem (CID 2647186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).