(2-methoxyphenyl) 2-(4-bromophenoxy)acetate

C15H13BrO4 — CID 78777315

IUPAC(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
SMILESCOc1ccccc1OC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H13BrO4/c1-18-13-4-2-3-5-14(13)20-15(17)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3
InChIKeyDLXQNWBFXBXBJX-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.44
Rot. Bonds5

About (2-methoxyphenyl) 2-(4-bromophenoxy)acetate

(2-methoxyphenyl) 2-(4-bromophenoxy)acetate (PubChem CID 78777315) has the molecular formula C15H13BrO4 and a molecular weight of 337.17 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-(4-bromophenoxy)acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
PubChem CID78777315
Molecular FormulaC15H13BrO4
Molecular Weight337.17 g/mol
Exact Mass336.00
IUPAC Name(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
SMILESCOc1ccccc1OC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H13BrO4/c1-18-13-4-2-3-5-14(13)20-15(17)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3
InChIKeyDLXQNWBFXBXBJX-UHFFFAOYSA-N
XLogP3.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.44
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-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone
CID 60625457
(2-methoxyphenyl) 2-methoxyacetate
CID 53423767
(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate
CID 19179036
(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
CID 733471
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
(2-methoxyphenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012554
(2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate
CID 4927357
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 19179231
(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
CID 19179210
methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate
CID 23011279
(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate
CID 7918561

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-(4-bromophenoxy)acetate?
The IUPAC name of (2-methoxyphenyl) 2-(4-bromophenoxy)acetate (CID 78777315) is (2-methoxyphenyl) 2-(4-bromophenoxy)acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-(4-bromophenoxy)acetate?
The canonical SMILES for (2-methoxyphenyl) 2-(4-bromophenoxy)acetate is COc1ccccc1OC(=O)COc1ccc(Br)cc1.
What is the InChIKey of (2-methoxyphenyl) 2-(4-bromophenoxy)acetate?
The InChIKey is DLXQNWBFXBXBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO4/c1-18-13-4-2-3-5-14(13)20-15(17)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3.
What are the key properties of (2-methoxyphenyl) 2-(4-bromophenoxy)acetate?
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate has a molecular weight of 337.17 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-(4-bromophenoxy)acetate is sourced from PubChem (CID 78777315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).