(4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate

C19H15ClN2O5 — CID 1020611

IUPAC(4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClN2O5/c1-24-16-11-17(25-2)22-19(21-16)27-15-6-4-3-5-14(15)18(23)26-13-9-7-12(20)8-10-13/h3-11H,1-2H3
InChIKeyOINGUWIIIHDMOE-UHFFFAOYSA-N
MW386.79 g/mol
LogP4.16
Rot. Bonds6

About (4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate

(4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate (PubChem CID 1020611) has the molecular formula C19H15ClN2O5 and a molecular weight of 386.79 g/mol. Its IUPAC name is (4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
PubChem CID1020611
Molecular FormulaC19H15ClN2O5
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Name(4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClN2O5/c1-24-16-11-17(25-2)22-19(21-16)27-15-6-4-3-5-14(15)18(23)26-13-9-7-12(20)8-10-13/h3-11H,1-2H3
InChIKeyOINGUWIIIHDMOE-UHFFFAOYSA-N
XLogP4.16
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The IUPAC name of (4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate (CID 1020611) is (4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate.
What is the SMILES notation for (4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The canonical SMILES for (4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate is COc1cc(OC)nc(Oc2ccccc2C(=O)Oc2ccc(Cl)cc2)n1.
What is the InChIKey of (4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The InChIKey is OINGUWIIIHDMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O5/c1-24-16-11-17(25-2)22-19(21-16)27-15-6-4-3-5-14(15)18(23)26-13-9-7-12(20)8-10-13/h3-11H,1-2H3.
What are the key properties of (4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
(4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate has a molecular weight of 386.79 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate is sourced from PubChem (CID 1020611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).