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

C15H17NO2 — CID 113323114

IUPAC1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C15H17NO2/c1-12(17)10-13-2-4-15(5-3-13)18-11-14-6-8-16-9-7-14/h2-9,12,17H,10-11H2,1H3
InChIKeyRWKVLYXFFAQZOW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.58
Rot. Bonds5

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

1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol (PubChem CID 113323114) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
PubChem CID113323114
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C15H17NO2/c1-12(17)10-13-2-4-15(5-3-13)18-11-14-6-8-16-9-7-14/h2-9,12,17H,10-11H2,1H3
InChIKeyRWKVLYXFFAQZOW-UHFFFAOYSA-N
XLogP2.58
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-ol
CID 112650663
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 67730824
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976
1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
CID 115495812
1-[4-(phenylmethoxymethoxy)phenyl]propan-2-ol
CID 102939869
1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol
CID 115495740
1-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-ol
CID 115496013

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol (CID 113323114) is 1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol is CC(O)Cc1ccc(OCc2ccncc2)cc1.
What is the InChIKey of 1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol?
The InChIKey is RWKVLYXFFAQZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-12(17)10-13-2-4-15(5-3-13)18-11-14-6-8-16-9-7-14/h2-9,12,17H,10-11H2,1H3.
What are the key properties of 1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol?
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol has a molecular weight of 243.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 113323114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).