methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate

C17H17NO4 — CID 54017069

IUPACmethyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate
SMILESCOC=C(C(=O)OC)c1ccccc1COc1ccccn1
InChIInChI=1S/C17H17NO4/c1-20-12-15(17(19)21-2)14-8-4-3-7-13(14)11-22-16-9-5-6-10-18-16/h3-10,12H,11H2,1-2H3
InChIKeyKWIWKQYHDUWZKQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.82
Rot. Bonds6

About methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate

methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate (PubChem CID 54017069) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate
PubChem CID54017069
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate
SMILESCOC=C(C(=O)OC)c1ccccc1COc1ccccn1
InChIInChI=1S/C17H17NO4/c1-20-12-15(17(19)21-2)14-8-4-3-7-13(14)11-22-16-9-5-6-10-18-16/h3-10,12H,11H2,1-2H3
InChIKeyKWIWKQYHDUWZKQ-UHFFFAOYSA-N
XLogP2.82
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-3-methoxyprop-2-enoate
CID 14857815
methyl (E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-3-methoxyprop-2-enoate
CID 10925060
methyl 3-methoxy-2-[2-[(3-methoxyphenoxy)methyl]phenyl]prop-2-enoate
CID 72740175
methyl 2-[2-(dimethoxyphosphoryloxymethyl)phenyl]-3-methoxyprop-2-enoate
CID 54169647
methyl (E)-3-methoxy-2-[2-[[3-(phenoxymethyl)phenoxy]methyl]phenyl]prop-2-enoate
CID 14857839
ethane;methyl 3-methoxy-2-[2-[(3-phenoxyphenoxy)methyl]phenyl]prop-2-enoate
CID 91362443
methyl (E)-2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]-3-methoxyprop-2-enoate
CID 70010332
methyl 3-methoxy-2-[2-[[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate
CID 67559351
methyl 2-[2-[[3-hydroxy-5-(2-phenoxyethoxy)phenoxy]methyl]phenyl]-3-methoxyprop-2-enoate
CID 67954519
methyl (Z)-2-[2-[[3-(4-bromophenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-3-methoxyprop-2-enoate
CID 102174347
methyl (E)-2-[2-[[(E)-C-ethyl-N-(1-pyridin-2-ylpropoxy)carbonimidoyl]oxymethyl]phenyl]-3-methoxyprop-2-enoate
CID 139911240
methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate
CID 71473031

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate?
The IUPAC name of methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate (CID 54017069) is methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate is COC=C(C(=O)OC)c1ccccc1COc1ccccn1.
What is the InChIKey of methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate?
The InChIKey is KWIWKQYHDUWZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-20-12-15(17(19)21-2)14-8-4-3-7-13(14)11-22-16-9-5-6-10-18-16/h3-10,12H,11H2,1-2H3.
What are the key properties of methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate?
methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate has a molecular weight of 299.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-[2-(pyridin-2-yloxymethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 54017069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).