ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate

C16H17NO4 — CID 91682546

IUPACethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OC)c(OCc2cccnc2)c1
InChIInChI=1S/C16H17NO4/c1-3-20-16(18)13-6-7-14(19-2)15(9-13)21-11-12-5-4-8-17-10-12/h4-10H,3,11H2,1-2H3
InChIKeyADYUAXGWAZNCCX-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.85
Rot. Bonds6

About ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate

ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate (PubChem CID 91682546) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
PubChem CID91682546
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Nameethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OC)c(OCc2cccnc2)c1
InChIInChI=1S/C16H17NO4/c1-3-20-16(18)13-6-7-14(19-2)15(9-13)21-11-12-5-4-8-17-10-12/h4-10H,3,11H2,1-2H3
InChIKeyADYUAXGWAZNCCX-UHFFFAOYSA-N
XLogP2.85
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682612
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
pyridin-3-ylmethyl 3-methoxy-4-prop-2-enoxybenzoate
CID 78829849
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 24706507
ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55672143
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate
CID 91681650

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate?
The IUPAC name of ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate (CID 91682546) is ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate.
What is the SMILES notation for ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate?
The canonical SMILES for ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate is CCOC(=O)c1ccc(OC)c(OCc2cccnc2)c1.
What is the InChIKey of ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate?
The InChIKey is ADYUAXGWAZNCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-20-16(18)13-6-7-14(19-2)15(9-13)21-11-12-5-4-8-17-10-12/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate?
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate has a molecular weight of 287.31 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate is sourced from PubChem (CID 91682546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).