2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate

C18H19BrO5 — CID 55368218

IUPAC2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCCOc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C18H19BrO5/c1-21-16-6-3-13(17(12-16)22-2)11-18(20)24-10-9-23-15-7-4-14(19)5-8-15/h3-8,12H,9-11H2,1-2H3
InChIKeyJSZRQNIAZIBLAR-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.63
Rot. Bonds8

About 2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate

2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate (PubChem CID 55368218) has the molecular formula C18H19BrO5 and a molecular weight of 395.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate
PubChem CID55368218
Molecular FormulaC18H19BrO5
Molecular Weight395.25 g/mol
Exact Mass394.04
IUPAC Name2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCCOc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C18H19BrO5/c1-21-16-6-3-13(17(12-16)22-2)11-18(20)24-10-9-23-15-7-4-14(19)5-8-15/h3-8,12H,9-11H2,1-2H3
InChIKeyJSZRQNIAZIBLAR-UHFFFAOYSA-N
XLogP3.63
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzoate
CID 7705076
(4-bromo-2-fluorophenyl) 2-(2,4-dimethoxyphenyl)acetate
CID 55364110
2-(4-bromophenoxy)ethyl 3-methoxynaphthalene-2-carboxylate
CID 2416862
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxyaniline
CID 60680640
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
CID 112793987
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2,4-dimethoxyphenyl)acetate
CID 43027401
(3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate
CID 86052866
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzonitrile
CID 20992087
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 31883595
N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20988942
4-O-[2-(4-bromophenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308187

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate?
The IUPAC name of 2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate (CID 55368218) is 2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate.
What is the SMILES notation for 2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate?
The canonical SMILES for 2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCCOc2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of 2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate?
The InChIKey is JSZRQNIAZIBLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO5/c1-21-16-6-3-13(17(12-16)22-2)11-18(20)24-10-9-23-15-7-4-14(19)5-8-15/h3-8,12H,9-11H2,1-2H3.
What are the key properties of 2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate?
2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate has a molecular weight of 395.25 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)ethyl 2-(2,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 55368218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).