(2-methylphenyl) 2-(4-ethylphenoxy)acetate

C17H18O3 — CID 19178987

IUPAC(2-methylphenyl) 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)Oc2ccccc2C)cc1
InChIInChI=1S/C17H18O3/c1-3-14-8-10-15(11-9-14)19-12-17(18)20-16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3
InChIKeyAJARABPMIQBJHB-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.54
Rot. Bonds5

About (2-methylphenyl) 2-(4-ethylphenoxy)acetate

(2-methylphenyl) 2-(4-ethylphenoxy)acetate (PubChem CID 19178987) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2-methylphenyl) 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name(2-methylphenyl) 2-(4-ethylphenoxy)acetate
PubChem CID19178987
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2-methylphenyl) 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)Oc2ccccc2C)cc1
InChIInChI=1S/C17H18O3/c1-3-14-8-10-15(11-9-14)19-12-17(18)20-16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3
InChIKeyAJARABPMIQBJHB-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-(4-ethylphenoxy)acetate
CID 19178986
(4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19179632
(4-chloro-3-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178993
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
(2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate
CID 4927357
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate
CID 19179629
(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate
CID 19179491
(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
CID 19179210
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
1-(4-ethylphenoxy)propan-2-one
CID 21325379
propyl 2-(4-ethylphenoxy)acetate
CID 78907907

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-(4-ethylphenoxy)acetate?
The IUPAC name of (2-methylphenyl) 2-(4-ethylphenoxy)acetate (CID 19178987) is (2-methylphenyl) 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for (2-methylphenyl) 2-(4-ethylphenoxy)acetate?
The canonical SMILES for (2-methylphenyl) 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)Oc2ccccc2C)cc1.
What is the InChIKey of (2-methylphenyl) 2-(4-ethylphenoxy)acetate?
The InChIKey is AJARABPMIQBJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-14-8-10-15(11-9-14)19-12-17(18)20-16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3.
What are the key properties of (2-methylphenyl) 2-(4-ethylphenoxy)acetate?
(2-methylphenyl) 2-(4-ethylphenoxy)acetate has a molecular weight of 270.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 19178987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).