(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate

C16H15BrO4 — CID 19179036

IUPAC(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)Oc1ccc(Br)cc1
InChIInChI=1S/C16H15BrO4/c1-2-19-14-5-3-4-6-15(14)20-11-16(18)21-13-9-7-12(17)8-10-13/h3-10H,2,11H2,1H3
InChIKeyABBORTGQNUEPHU-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.83
Rot. Bonds6

About (4-bromophenyl) 2-(2-ethoxyphenoxy)acetate

(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate (PubChem CID 19179036) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is (4-bromophenyl) 2-(2-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate
PubChem CID19179036
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Name(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)Oc1ccc(Br)cc1
InChIInChI=1S/C16H15BrO4/c1-2-19-14-5-3-4-6-15(14)20-11-16(18)21-13-9-7-12(17)8-10-13/h3-10H,2,11H2,1H3
InChIKeyABBORTGQNUEPHU-UHFFFAOYSA-N
XLogP3.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
CID 19179210
2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 62029870
[4-[benzenesulfonyl(methyl)amino]phenyl] 2-(2-ethoxyphenoxy)acetate
CID 4812581
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
butyl 2-(2-ethoxyphenoxy)acetate
CID 54941442
[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 19179231
propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
(4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate
CID 19179126
(4-bromophenyl) 2-(4-bromo-3-methylphenoxy)acetate
CID 19179258

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) 2-(2-ethoxyphenoxy)acetate?
The IUPAC name of (4-bromophenyl) 2-(2-ethoxyphenoxy)acetate (CID 19179036) is (4-bromophenyl) 2-(2-ethoxyphenoxy)acetate.
What is the SMILES notation for (4-bromophenyl) 2-(2-ethoxyphenoxy)acetate?
The canonical SMILES for (4-bromophenyl) 2-(2-ethoxyphenoxy)acetate is CCOc1ccccc1OCC(=O)Oc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl) 2-(2-ethoxyphenoxy)acetate?
The InChIKey is ABBORTGQNUEPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c1-2-19-14-5-3-4-6-15(14)20-11-16(18)21-13-9-7-12(17)8-10-13/h3-10H,2,11H2,1H3.
What are the key properties of (4-bromophenyl) 2-(2-ethoxyphenoxy)acetate?
(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate has a molecular weight of 351.20 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) 2-(2-ethoxyphenoxy)acetate is sourced from PubChem (CID 19179036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).