3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol

C15H13NO2 — CID 19422171

IUPAC3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol
SMILESCc1cccc(Oc2cccc(C#CCO)c2)n1
InChIInChI=1S/C15H13NO2/c1-12-5-2-9-15(16-12)18-14-8-3-6-13(11-14)7-4-10-17/h2-3,5-6,8-9,11,17H,10H2,1H3
InChIKeyZFKOWOMLXDGBPZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.53
Rot. Bonds2

About 3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol

3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol (PubChem CID 19422171) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol
PubChem CID19422171
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol
SMILESCc1cccc(Oc2cccc(C#CCO)c2)n1
InChIInChI=1S/C15H13NO2/c1-12-5-2-9-15(16-12)18-14-8-3-6-13(11-14)7-4-10-17/h2-3,5-6,8-9,11,17H,10H2,1H3
InChIKeyZFKOWOMLXDGBPZ-UHFFFAOYSA-N
XLogP2.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-methylphenoxy)phenyl]prop-2-yn-1-ol
CID 139677228
2-(3-iodophenoxy)-6-methylpyridine
CID 61400141
3-[3-[(2,5-dimethylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 61481933
2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline
CID 62113791
[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724765
3-(3-trimethylsilylphenyl)prop-2-yn-1-ol
CID 169485183
3-[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 106868904
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969801
3-[3-[2-(2-methoxyethylsulfanyl)ethoxy]phenyl]prop-2-yn-1-ol
CID 54974967
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830959
2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine
CID 86623900
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol (CID 19422171) is 3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol is Cc1cccc(Oc2cccc(C#CCO)c2)n1.
What is the InChIKey of 3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol?
The InChIKey is ZFKOWOMLXDGBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-12-5-2-9-15(16-12)18-14-8-3-6-13(11-14)7-4-10-17/h2-3,5-6,8-9,11,17H,10H2,1H3.
What are the key properties of 3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol?
3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol has a molecular weight of 239.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 19422171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).