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

C19H14ClNO4 — CID 30805309

IUPAC(4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClNO4/c20-14-4-6-17(7-5-14)25-19(22)13-23-15-8-10-16(11-9-15)24-18-3-1-2-12-21-18/h1-12H,13H2
InChIKeyQAKNZJFNJRBRHQ-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.51
Rot. Bonds6

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

(4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate (PubChem CID 30805309) has the molecular formula C19H14ClNO4 and a molecular weight of 355.78 g/mol. Its IUPAC name is (4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
PubChem CID30805309
Molecular FormulaC19H14ClNO4
Molecular Weight355.78 g/mol
Exact Mass355.06
IUPAC Name(4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClNO4/c20-14-4-6-17(7-5-14)25-19(22)13-23-15-8-10-16(11-9-15)24-18-3-1-2-12-21-18/h1-12H,13H2
InChIKeyQAKNZJFNJRBRHQ-UHFFFAOYSA-N
XLogP4.51
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 54.51
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-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805310
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
(2,3,6-trimethylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30765960
(4-cyanophenyl) 2-(4-chlorophenoxy)acetate
CID 4810628
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
CID 4938690
1,3-benzothiazol-2-ylmethyl 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805452
dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
CID 5153228
2-[methyl-[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]acetamide
CID 56809048
phenyl 2-(3-chlorophenoxy)acetate
CID 19179107
N-(2-fluoro-4-hydroxyphenyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 75452294
(4-chlorophenyl) 2-methoxyacetate
CID 849221

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate?
The IUPAC name of (4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate (CID 30805309) is (4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate.
What is the SMILES notation for (4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate?
The canonical SMILES for (4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate is O=C(COc1ccc(Oc2ccccn2)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate?
The InChIKey is QAKNZJFNJRBRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4/c20-14-4-6-17(7-5-14)25-19(22)13-23-15-8-10-16(11-9-15)24-18-3-1-2-12-21-18/h1-12H,13H2.
What are the key properties of (4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate?
(4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate has a molecular weight of 355.78 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate is sourced from PubChem (CID 30805309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).