1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol

C16H19NO2 — CID 60891122

IUPAC1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCCc2ccncc2)cc1
InChIInChI=1S/C16H19NO2/c1-2-16(18)14-3-5-15(6-4-14)19-12-9-13-7-10-17-11-8-13/h3-8,10-11,16,18H,2,9,12H2,1H3
InChIKeyCSYLHBZRKZFRNT-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.15
Rot. Bonds6

About 1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol

1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol (PubChem CID 60891122) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
PubChem CID60891122
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCCc2ccncc2)cc1
InChIInChI=1S/C16H19NO2/c1-2-16(18)14-3-5-15(6-4-14)19-12-9-13-7-10-17-11-8-13/h3-8,10-11,16,18H,2,9,12H2,1H3
InChIKeyCSYLHBZRKZFRNT-UHFFFAOYSA-N
XLogP3.15
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 63365438
N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine
CID 60892058
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
CID 78933443
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
4-[2-(4-methylphenoxy)ethyl]pyridine
CID 64763978
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
1-[4-(2-methylsulfanylethoxy)phenyl]propan-1-ol
CID 115900486
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
N-ethyl-1-[4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 43285904

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol (CID 60891122) is 1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol is CCC(O)c1ccc(OCCc2ccncc2)cc1.
What is the InChIKey of 1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol?
The InChIKey is CSYLHBZRKZFRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-16(18)14-3-5-15(6-4-14)19-12-9-13-7-10-17-11-8-13/h3-8,10-11,16,18H,2,9,12H2,1H3.
What are the key properties of 1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol?
1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol has a molecular weight of 257.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 60891122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).