3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol

C17H17NO3 — CID 104706560

IUPAC3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol
SMILESCOc1ccc(OCCc2ccccn2)c(C#CCO)c1
InChIInChI=1S/C17H17NO3/c1-20-16-7-8-17(14(13-16)5-4-11-19)21-12-9-15-6-2-3-10-18-15/h2-3,6-8,10,13,19H,9,11-12H2,1H3
InChIKeyCLXRAUGTVNGWIQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.06
Rot. Bonds5

About 3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol

3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol (PubChem CID 104706560) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol
PubChem CID104706560
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol
SMILESCOc1ccc(OCCc2ccccn2)c(C#CCO)c1
InChIInChI=1S/C17H17NO3/c1-20-16-7-8-17(14(13-16)5-4-11-19)21-12-9-15-6-2-3-10-18-15/h2-3,6-8,10,13,19H,9,11-12H2,1H3
InChIKeyCLXRAUGTVNGWIQ-UHFFFAOYSA-N
XLogP2.06
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol
CID 104706465
4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile
CID 81305629
3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol
CID 104706556
3-[2-(2,2-difluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol
CID 104706494
3-[5-methoxy-2-(2-pyridin-3-ylethoxy)phenyl]prop-2-yn-1-amine
CID 104707028
2-(3,5-dimethoxyphenyl)-3-(2-pyridin-2-ylethoxy)pyridine
CID 166385423
2-methoxy-4-(2-pyridin-2-ylethoxy)aniline
CID 63678212
3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706926
3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol
CID 60890550
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097831
3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 104706417
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821

Frequently Asked Questions

What is the IUPAC name of 3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol (CID 104706560) is 3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol is COc1ccc(OCCc2ccccn2)c(C#CCO)c1.
What is the InChIKey of 3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is CLXRAUGTVNGWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-16-7-8-17(14(13-16)5-4-11-19)21-12-9-15-6-2-3-10-18-15/h2-3,6-8,10,13,19H,9,11-12H2,1H3.
What are the key properties of 3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol?
3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 104706560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).