(1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol

C14H14INO2 — CID 103939168

IUPAC(1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Oc2ccccc2I)cn1
InChIInChI=1S/C14H14INO2/c1-2-13(17)12-8-7-10(9-16-12)18-14-6-4-3-5-11(14)15/h3-9,13,17H,2H2,1H3/t13-/m0/s1
InChIKeyWQOLEBKMODPUGO-ZDUSSCGKSA-N
MW355.18 g/mol
LogP3.92
Rot. Bonds4

About (1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol

(1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol (PubChem CID 103939168) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is (1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol
PubChem CID103939168
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name(1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Oc2ccccc2I)cn1
InChIInChI=1S/C14H14INO2/c1-2-13(17)12-8-7-10(9-16-12)18-14-6-4-3-5-11(14)15/h3-9,13,17H,2H2,1H3/t13-/m0/s1
InChIKeyWQOLEBKMODPUGO-ZDUSSCGKSA-N
XLogP3.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939114
(1S)-1-(5-naphthalen-1-yloxy-2-pyridinyl)propan-1-ol
CID 103939118
1-(5-naphthalen-1-yloxy-2-pyridinyl)propan-1-ol
CID 115940536
1-[5-(2,3-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 112585589
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
(1S)-1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939120
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 112585568
1-[5-(2-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124644
(1R)-1-(5-quinolin-3-yloxy-2-pyridinyl)propan-1-ol
CID 107387500
(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol
CID 103939260
(1S)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 103939202
(1R)-1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939075

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol (CID 103939168) is (1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(Oc2ccccc2I)cn1.
What is the InChIKey of (1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol?
The InChIKey is WQOLEBKMODPUGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14INO2/c1-2-13(17)12-8-7-10(9-16-12)18-14-6-4-3-5-11(14)15/h3-9,13,17H,2H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol?
(1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol has a molecular weight of 355.18 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103939168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).