(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate

C22H20O4 — CID 19179210

IUPAC(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
SMILESCCOc1ccccc1OC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-2-24-20-10-6-7-11-21(20)26-22(23)16-25-19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChIKeyWGBFAUZPPHLJIH-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.74
Rot. Bonds7

About (2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate

(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate (PubChem CID 19179210) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate.

Molecular Properties

Compound Name(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
PubChem CID19179210
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
SMILESCCOc1ccccc1OC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-2-24-20-10-6-7-11-21(20)26-22(23)16-25-19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChIKeyWGBFAUZPPHLJIH-UHFFFAOYSA-N
XLogP4.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.74
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

(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate
CID 23011279
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
(2,3,4,5,6-pentafluorophenyl) 2-(4-phenylphenoxy)acetate
CID 87804804
propan-2-yl 2-(4-phenylphenoxy)acetate
CID 2791913
(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate
CID 19179036
1-(4-phenylphenoxy)butan-2-one
CID 62041258
(2-ethoxyphenyl) 4-ethoxybenzoate
CID 176892652
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
(4-cyano-2-ethoxyphenyl) 2-(4-phenylmethoxyphenoxy)acetate
CID 8800134
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 19179231

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate?
The IUPAC name of (2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate (CID 19179210) is (2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate.
What is the SMILES notation for (2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate?
The canonical SMILES for (2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate is CCOc1ccccc1OC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate?
The InChIKey is WGBFAUZPPHLJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-2-24-20-10-6-7-11-21(20)26-22(23)16-25-19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3.
What are the key properties of (2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate?
(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate has a molecular weight of 348.40 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate is sourced from PubChem (CID 19179210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).