2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine

C16H15NO3 — CID 57229596

IUPAC2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine
SMILESCOc1cccc(OCC#Cc2ccccn2)c1OC
InChIInChI=1S/C16H15NO3/c1-18-14-9-5-10-15(16(14)19-2)20-12-6-8-13-7-3-4-11-17-13/h3-5,7,9-11H,12H2,1-2H3
InChIKeyAIRXRFLLUKDQIC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.53
Rot. Bonds4

About 2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine

2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine (PubChem CID 57229596) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine.

Molecular Properties

Compound Name2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine
PubChem CID57229596
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine
SMILESCOc1cccc(OCC#Cc2ccccn2)c1OC
InChIInChI=1S/C16H15NO3/c1-18-14-9-5-10-15(16(14)19-2)20-12-6-8-13-7-3-4-11-17-13/h3-5,7,9-11H,12H2,1-2H3
InChIKeyAIRXRFLLUKDQIC-UHFFFAOYSA-N
XLogP2.53
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol
CID 23539233
3-pyridin-2-ylprop-2-ynyl methanesulfonate
CID 87880685
2-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-6-methylpyridine
CID 11322699
1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene
CID 135016241
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2-(3-fluoroprop-1-ynyl)pyridine
CID 123437689
1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine
CID 62340507
propanal;1,2,3-trimethoxybenzene
CID 174975216
2-oct-1-ynylpyridine
CID 12931148
3,4,5-trimethoxy-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579692
[dimethyl(2-pyridin-2-ylethynyl)silyl]oxy-dimethyl-(2-pyridin-2-ylethynyl)silane
CID 101345226
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
CID 121304269

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine?
The IUPAC name of 2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine (CID 57229596) is 2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine.
What is the SMILES notation for 2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine?
The canonical SMILES for 2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine is COc1cccc(OCC#Cc2ccccn2)c1OC.
What is the InChIKey of 2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine?
The InChIKey is AIRXRFLLUKDQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-18-14-9-5-10-15(16(14)19-2)20-12-6-8-13-7-3-4-11-17-13/h3-5,7,9-11H,12H2,1-2H3.
What are the key properties of 2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine?
2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine has a molecular weight of 269.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dimethoxyphenoxy)prop-1-ynyl]pyridine is sourced from PubChem (CID 57229596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).