[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate

C22H20O4 — CID 19179231

IUPAC[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)Oc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20O4/c1-16-7-9-17(10-8-16)18-11-13-19(14-12-18)26-22(23)15-25-21-6-4-3-5-20(21)24-2/h3-14H,15H2,1-2H3
InChIKeyGDDMPACICHZAAV-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.66
Rot. Bonds6

About [4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate

[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 19179231) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate
PubChem CID19179231
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)Oc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20O4/c1-16-7-9-17(10-8-16)18-11-13-19(14-12-18)26-22(23)15-25-21-6-4-3-5-20(21)24-2/h3-14H,15H2,1-2H3
InChIKeyGDDMPACICHZAAV-UHFFFAOYSA-N
XLogP4.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.66
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-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
[4-(4-methylphenyl)phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 19179319
[4-(2,2-dicyanoethenyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 19217944
(4-methylphenyl) 2-methoxyacetate
CID 142940402
(3,4-dimethylphenyl) 2-[4-(4-methylphenyl)phenoxy]acetate
CID 19180769
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate
CID 19179036
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
(2-methoxyphenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012554
(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate (CID 19179231) is [4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)Oc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is GDDMPACICHZAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-16-7-9-17(10-8-16)18-11-13-19(14-12-18)26-22(23)15-25-21-6-4-3-5-20(21)24-2/h3-14H,15H2,1-2H3.
What are the key properties of [4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate?
[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 348.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 19179231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).