ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate

C20H25NO4 — CID 71422975

IUPACethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate
SMILESCCCCC(COc1ccc(C(=O)OCC)cc1)Oc1cccnc1
InChIInChI=1S/C20H25NO4/c1-3-5-7-19(25-18-8-6-13-21-14-18)15-24-17-11-9-16(10-12-17)20(22)23-4-2/h6,8-14,19H,3-5,7,15H2,1-2H3
InChIKeyDSEZZMOPZLHDDU-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.27
Rot. Bonds10

About ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate

ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate (PubChem CID 71422975) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate
PubChem CID71422975
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nameethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate
SMILESCCCCC(COc1ccc(C(=O)OCC)cc1)Oc1cccnc1
InChIInChI=1S/C20H25NO4/c1-3-5-7-19(25-18-8-6-13-21-14-18)15-24-17-11-9-16(10-12-17)20(22)23-4-2/h6,8-14,19H,3-5,7,15H2,1-2H3
InChIKeyDSEZZMOPZLHDDU-UHFFFAOYSA-N
XLogP4.27
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate?
The IUPAC name of ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate (CID 71422975) is ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate.
What is the SMILES notation for ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate?
The canonical SMILES for ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate is CCCCC(COc1ccc(C(=O)OCC)cc1)Oc1cccnc1.
What is the InChIKey of ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate?
The InChIKey is DSEZZMOPZLHDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-5-7-19(25-18-8-6-13-21-14-18)15-24-17-11-9-16(10-12-17)20(22)23-4-2/h6,8-14,19H,3-5,7,15H2,1-2H3.
What are the key properties of ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate?
ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate has a molecular weight of 343.42 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-pyridin-3-yloxyhexoxy)benzoate is sourced from PubChem (CID 71422975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).