1-(4-pyridin-4-yloxyphenoxy)propan-2-ol

C14H15NO3 — CID 19982181

IUPAC1-(4-pyridin-4-yloxyphenoxy)propan-2-ol
SMILESCC(O)COc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C14H15NO3/c1-11(16)10-17-12-2-4-13(5-3-12)18-14-6-8-15-9-7-14/h2-9,11,16H,10H2,1H3
InChIKeyLWKVYSTWOASYJR-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.63
Rot. Bonds5

About 1-(4-pyridin-4-yloxyphenoxy)propan-2-ol

1-(4-pyridin-4-yloxyphenoxy)propan-2-ol (PubChem CID 19982181) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(4-pyridin-4-yloxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-pyridin-4-yloxyphenoxy)propan-2-ol
PubChem CID19982181
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(4-pyridin-4-yloxyphenoxy)propan-2-ol
SMILESCC(O)COc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C14H15NO3/c1-11(16)10-17-12-2-4-13(5-3-12)18-14-6-8-15-9-7-14/h2-9,11,16H,10H2,1H3
InChIKeyLWKVYSTWOASYJR-UHFFFAOYSA-N
XLogP2.63
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247669
1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one
CID 68788196
1-(4-iodophenoxy)propan-2-ol
CID 65277775
1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
CID 161419834
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
ethane;1-phenoxypropan-2-ol
CID 90926921
bis[4-(2-hydroxypropoxy)phenyl]-dimethylazanium;methane
CID 161004546
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
1-(1,3-benzothiazol-6-yloxy)propan-2-ol
CID 82189802
acetic acid;1-phenoxypropan-2-ol
CID 68567525
1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-4-yloxyphenoxy)propan-2-ol?
The IUPAC name of 1-(4-pyridin-4-yloxyphenoxy)propan-2-ol (CID 19982181) is 1-(4-pyridin-4-yloxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-pyridin-4-yloxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-pyridin-4-yloxyphenoxy)propan-2-ol is CC(O)COc1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 1-(4-pyridin-4-yloxyphenoxy)propan-2-ol?
The InChIKey is LWKVYSTWOASYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-11(16)10-17-12-2-4-13(5-3-12)18-14-6-8-15-9-7-14/h2-9,11,16H,10H2,1H3.
What are the key properties of 1-(4-pyridin-4-yloxyphenoxy)propan-2-ol?
1-(4-pyridin-4-yloxyphenoxy)propan-2-ol has a molecular weight of 245.28 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-4-yloxyphenoxy)propan-2-ol is sourced from PubChem (CID 19982181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).