prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate

C17H17NO4 — CID 91682612

IUPACprop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate
SMILESC=CCOC(=O)c1ccc(OCc2cccnc2)c(OC)c1
InChIInChI=1S/C17H17NO4/c1-3-9-21-17(19)14-6-7-15(16(10-14)20-2)22-12-13-5-4-8-18-11-13/h3-8,10-11H,1,9,12H2,2H3
InChIKeyUHVPVAPSAVDCPD-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.01
Rot. Bonds7

About prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate

prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate (PubChem CID 91682612) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate.

Molecular Properties

Compound Nameprop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate
PubChem CID91682612
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Nameprop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate
SMILESC=CCOC(=O)c1ccc(OCc2cccnc2)c(OC)c1
InChIInChI=1S/C17H17NO4/c1-3-9-21-17(19)14-6-7-15(16(10-14)20-2)22-12-13-5-4-8-18-11-13/h3-8,10-11H,1,9,12H2,2H3
InChIKeyUHVPVAPSAVDCPD-UHFFFAOYSA-N
XLogP3.01
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pyridin-3-ylmethyl 3-methoxy-4-prop-2-enoxybenzoate
CID 78829849
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483
N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 24706507
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 18123440

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate?
The IUPAC name of prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate (CID 91682612) is prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate.
What is the SMILES notation for prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate?
The canonical SMILES for prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate is C=CCOC(=O)c1ccc(OCc2cccnc2)c(OC)c1.
What is the InChIKey of prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate?
The InChIKey is UHVPVAPSAVDCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-9-21-17(19)14-6-7-15(16(10-14)20-2)22-12-13-5-4-8-18-11-13/h3-8,10-11H,1,9,12H2,2H3.
What are the key properties of prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate?
prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate has a molecular weight of 299.33 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate is sourced from PubChem (CID 91682612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).