3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol

C16H15NO2 — CID 60890550

IUPAC3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccccc1OCCc1ccncc1
InChIInChI=1S/C16H15NO2/c18-12-3-5-15-4-1-2-6-16(15)19-13-9-14-7-10-17-11-8-14/h1-2,4,6-8,10-11,18H,9,12-13H2
InChIKeyDGKMKDCMGRRJCJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.05
Rot. Bonds4

About 3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol

3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol (PubChem CID 60890550) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol
PubChem CID60890550
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccccc1OCCc1ccncc1
InChIInChI=1S/C16H15NO2/c18-12-3-5-15-4-1-2-6-16(15)19-13-9-14-7-10-17-11-8-14/h1-2,4,6-8,10-11,18H,9,12-13H2
InChIKeyDGKMKDCMGRRJCJ-UHFFFAOYSA-N
XLogP2.05
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.05
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-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine
CID 60891129
3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114530828
3-[2-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol
CID 60925452
3-[2-(3-phenoxypropoxy)phenyl]prop-2-yn-1-ol
CID 62936966
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498
3-[2-[2-(4-chlorobut-1-ynyl)phenoxy]ethyl]pyridine
CID 63262801
2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 60903757
3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 82891901
3-[2-(2-propan-2-ylsulfonylethoxy)phenyl]prop-2-yn-1-ol
CID 106728135
2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile
CID 114322554
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60892643
3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol
CID 21322376

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol (CID 60890550) is 3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol is OCC#Cc1ccccc1OCCc1ccncc1.
What is the InChIKey of 3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is DGKMKDCMGRRJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-12-3-5-15-4-1-2-6-16(15)19-13-9-14-7-10-17-11-8-14/h1-2,4,6-8,10-11,18H,9,12-13H2.
What are the key properties of 3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol?
3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol has a molecular weight of 253.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 60890550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).