(2-formylphenyl) 2-(3-ethylphenoxy)acetate

C17H16O4 — CID 39199858

IUPAC(2-formylphenyl) 2-(3-ethylphenoxy)acetate
SMILESCCc1cccc(OCC(=O)Oc2ccccc2C=O)c1
InChIInChI=1S/C17H16O4/c1-2-13-6-5-8-15(10-13)20-12-17(19)21-16-9-4-3-7-14(16)11-18/h3-11H,2,12H2,1H3
InChIKeyZLSVVUAIMKFSEE-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.05
Rot. Bonds6

About (2-formylphenyl) 2-(3-ethylphenoxy)acetate

(2-formylphenyl) 2-(3-ethylphenoxy)acetate (PubChem CID 39199858) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2-formylphenyl) 2-(3-ethylphenoxy)acetate.

Molecular Properties

Compound Name(2-formylphenyl) 2-(3-ethylphenoxy)acetate
PubChem CID39199858
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(2-formylphenyl) 2-(3-ethylphenoxy)acetate
SMILESCCc1cccc(OCC(=O)Oc2ccccc2C=O)c1
InChIInChI=1S/C17H16O4/c1-2-13-6-5-8-15(10-13)20-12-17(19)21-16-9-4-3-7-14(16)11-18/h3-11H,2,12H2,1H3
InChIKeyZLSVVUAIMKFSEE-UHFFFAOYSA-N
XLogP3.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate
CID 19179473
5-chloro-2-[2-(3-ethylphenoxy)acetyl]oxybenzoic acid
CID 54854867
propyl 2-(3-ethylphenoxy)acetate
CID 71628037
[4-[(E)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] 2-(3-ethylphenoxy)acetate
CID 39114321
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
[4-[(E)-2-cyano-2-phenylethenyl]phenyl] 2-(3-ethylphenoxy)acetate
CID 39112770
(3-formylphenyl) 2-(4-ethylphenoxy)acetate
CID 39199857
2-(3-ethylphenoxy)ethyl 2-(2-fluorophenoxy)acetate
CID 55316441
[3-[(E)-2-cyano-2-(2-methoxyphenyl)ethenyl]phenyl] 2-(3-ethylphenoxy)acetate
CID 39115143
2-(3-ethylphenoxy)-5-fluorobenzaldehyde
CID 43313054
(2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178987
methyl 2-(2-formylphenoxy)acetate
CID 5151625

Frequently Asked Questions

What is the IUPAC name of (2-formylphenyl) 2-(3-ethylphenoxy)acetate?
The IUPAC name of (2-formylphenyl) 2-(3-ethylphenoxy)acetate (CID 39199858) is (2-formylphenyl) 2-(3-ethylphenoxy)acetate.
What is the SMILES notation for (2-formylphenyl) 2-(3-ethylphenoxy)acetate?
The canonical SMILES for (2-formylphenyl) 2-(3-ethylphenoxy)acetate is CCc1cccc(OCC(=O)Oc2ccccc2C=O)c1.
What is the InChIKey of (2-formylphenyl) 2-(3-ethylphenoxy)acetate?
The InChIKey is ZLSVVUAIMKFSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-2-13-6-5-8-15(10-13)20-12-17(19)21-16-9-4-3-7-14(16)11-18/h3-11H,2,12H2,1H3.
What are the key properties of (2-formylphenyl) 2-(3-ethylphenoxy)acetate?
(2-formylphenyl) 2-(3-ethylphenoxy)acetate has a molecular weight of 284.31 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formylphenyl) 2-(3-ethylphenoxy)acetate is sourced from PubChem (CID 39199858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).