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

C16H15NO2 — CID 79261399

IUPAC3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCc1cccc(COc2ccccc2C#CCO)n1
InChIInChI=1S/C16H15NO2/c1-13-6-4-9-15(17-13)12-19-16-10-3-2-7-14(16)8-5-11-18/h2-4,6-7,9-10,18H,11-12H2,1H3
InChIKeyICVZZQZEDAIPOZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.31
Rot. Bonds3

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

3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol (PubChem CID 79261399) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
PubChem CID79261399
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCc1cccc(COc2ccccc2C#CCO)n1
InChIInChI=1S/C16H15NO2/c1-13-6-4-9-15(17-13)12-19-16-10-3-2-7-14(16)8-5-11-18/h2-4,6-7,9-10,18H,11-12H2,1H3
InChIKeyICVZZQZEDAIPOZ-UHFFFAOYSA-N
XLogP2.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.31
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

4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol
CID 79263412
1-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267970
2-methyl-6-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 79260812
3-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-amine
CID 82884234
3-[2-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol
CID 60925452
[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267114
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
3-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 55108396
[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267363
3-[2-(3-phenoxypropoxy)phenyl]prop-2-yn-1-ol
CID 62936966
2-[[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]methyl]-6-methylpyridine
CID 83135260
3-[2-(2-propan-2-ylsulfonylethoxy)phenyl]prop-2-yn-1-ol
CID 106728135

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol (CID 79261399) is 3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol is Cc1cccc(COc2ccccc2C#CCO)n1.
What is the InChIKey of 3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is ICVZZQZEDAIPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-13-6-4-9-15(17-13)12-19-16-10-3-2-7-14(16)8-5-11-18/h2-4,6-7,9-10,18H,11-12H2,1H3.
What are the key properties of 3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol?
3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 253.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 79261399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).