(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate

C20H17NO4 — CID 30805310

IUPAC(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
SMILESCc1ccc(OC(=O)COc2ccc(Oc3ccccn3)cc2)cc1
InChIInChI=1S/C20H17NO4/c1-15-5-7-18(8-6-15)25-20(22)14-23-16-9-11-17(12-10-16)24-19-4-2-3-13-21-19/h2-13H,14H2,1H3
InChIKeyXXVAHTUGHMNSLD-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.17
Rot. Bonds6

About (4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate

(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate (PubChem CID 30805310) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is (4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate.

Molecular Properties

Compound Name(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
PubChem CID30805310
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
SMILESCc1ccc(OC(=O)COc2ccc(Oc3ccccn3)cc2)cc1
InChIInChI=1S/C20H17NO4/c1-15-5-7-18(8-6-15)25-20(22)14-23-16-9-11-17(12-10-16)24-19-4-2-3-13-21-19/h2-13H,14H2,1H3
InChIKeyXXVAHTUGHMNSLD-UHFFFAOYSA-N
XLogP4.17
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805309
(2,3,6-trimethylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30765960
(4-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 112814343
pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate
CID 90398341
2-[methyl-[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]acetamide
CID 56809048
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36621925
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 2462291
N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87004197
N-[(6-methyl-2-pyridinyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87041581
1,3-benzothiazol-2-ylmethyl 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805452

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate?
The IUPAC name of (4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate (CID 30805310) is (4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate.
What is the SMILES notation for (4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate?
The canonical SMILES for (4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate is Cc1ccc(OC(=O)COc2ccc(Oc3ccccn3)cc2)cc1.
What is the InChIKey of (4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate?
The InChIKey is XXVAHTUGHMNSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-15-5-7-18(8-6-15)25-20(22)14-23-16-9-11-17(12-10-16)24-19-4-2-3-13-21-19/h2-13H,14H2,1H3.
What are the key properties of (4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate?
(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate has a molecular weight of 335.36 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate is sourced from PubChem (CID 30805310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).