phenyl 2-(4-ethylphenoxy)acetate

C16H16O3 — CID 19178986

IUPACphenyl 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-2-13-8-10-14(11-9-13)18-12-16(17)19-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3
InChIKeyHBAXHZJUDVABQK-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.23
Rot. Bonds5

About phenyl 2-(4-ethylphenoxy)acetate

phenyl 2-(4-ethylphenoxy)acetate (PubChem CID 19178986) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is phenyl 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Namephenyl 2-(4-ethylphenoxy)acetate
PubChem CID19178986
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namephenyl 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-2-13-8-10-14(11-9-13)18-12-16(17)19-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3
InChIKeyHBAXHZJUDVABQK-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.23
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

benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate
CID 19179629
(2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178987
(4-ethylphenyl) 2-(3-acetylphenoxy)acetate
CID 78769344
(3-formylphenyl) 2-(4-ethylphenoxy)acetate
CID 39199857
(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
propan-2-yl 3-[2-(4-ethylphenoxy)acetyl]oxybenzoate
CID 17162390
(4-chloro-3-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178993
5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate
CID 110493680
(4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19179632
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
1-(4-ethylphenoxy)propan-2-one
CID 21325379
propyl 2-(4-ethylphenoxy)acetate
CID 78907907

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(4-ethylphenoxy)acetate?
The IUPAC name of phenyl 2-(4-ethylphenoxy)acetate (CID 19178986) is phenyl 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for phenyl 2-(4-ethylphenoxy)acetate?
The canonical SMILES for phenyl 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl 2-(4-ethylphenoxy)acetate?
The InChIKey is HBAXHZJUDVABQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-13-8-10-14(11-9-13)18-12-16(17)19-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3.
What are the key properties of phenyl 2-(4-ethylphenoxy)acetate?
phenyl 2-(4-ethylphenoxy)acetate has a molecular weight of 256.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 19178986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).