(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate

C15H13ClO4 — CID 733471

IUPAC(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)Oc2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClO4/c1-18-11-6-8-12(9-7-11)19-10-15(17)20-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3
InChIKeyQVGYOJSUDGSOGJ-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.33
Rot. Bonds5

About (2-chlorophenyl) 2-(4-methoxyphenoxy)acetate

(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate (PubChem CID 733471) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is (2-chlorophenyl) 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
PubChem CID733471
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)Oc2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClO4/c1-18-11-6-8-12(9-7-11)19-10-15(17)20-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3
InChIKeyQVGYOJSUDGSOGJ-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.33
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

naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
(2-chlorophenyl) 2-methoxyacetate
CID 542147
(2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate
CID 4927357
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179422
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
CID 167287233
2-(2-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3378134
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate
CID 1194399
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenoxy)acetate
CID 40755686
2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 117244582

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2-(4-methoxyphenoxy)acetate?
The IUPAC name of (2-chlorophenyl) 2-(4-methoxyphenoxy)acetate (CID 733471) is (2-chlorophenyl) 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for (2-chlorophenyl) 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for (2-chlorophenyl) 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)Oc2ccccc2Cl)cc1.
What is the InChIKey of (2-chlorophenyl) 2-(4-methoxyphenoxy)acetate?
The InChIKey is QVGYOJSUDGSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-18-11-6-8-12(9-7-11)19-10-15(17)20-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3.
What are the key properties of (2-chlorophenyl) 2-(4-methoxyphenoxy)acetate?
(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate has a molecular weight of 292.72 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 733471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).