(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate

C22H20O4 — CID 19177827

IUPAC(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O4/c1-2-24-19-12-14-20(15-13-19)25-16-22(23)26-21-10-8-18(9-11-21)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3
InChIKeyAILZCQQZMKNCEA-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.74
Rot. Bonds7

About (4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate

(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate (PubChem CID 19177827) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
PubChem CID19177827
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O4/c1-2-24-19-12-14-20(15-13-19)25-16-22(23)26-21-10-8-18(9-11-21)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3
InChIKeyAILZCQQZMKNCEA-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

(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
CID 19179210
[4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate
CID 4222030
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
(2,3,4,5,6-pentafluorophenyl) 2-(4-phenylphenoxy)acetate
CID 87804804
propan-2-yl 2-(4-phenylphenoxy)acetate
CID 2791913
phenyl 2-(4-ethylphenoxy)acetate
CID 19178986
1-(4-phenylphenoxy)butan-2-one
CID 62041258
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
(6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate
CID 4013099
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate
CID 23011279
(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate
CID 19179036

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of (4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate (CID 19177827) is (4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for (4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for (4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate?
The InChIKey is AILZCQQZMKNCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-2-24-19-12-14-20(15-13-19)25-16-22(23)26-21-10-8-18(9-11-21)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3.
What are the key properties of (4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate?
(4-phenylphenyl) 2-(4-ethoxyphenoxy)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 (4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 19177827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).