1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol

C15H16BrNO2 — CID 107284909

IUPAC1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Oc2cc(Br)ccc2C)cn1
InChIInChI=1S/C15H16BrNO2/c1-3-14(18)13-7-6-12(9-17-13)19-15-8-11(16)5-4-10(15)2/h4-9,14,18H,3H2,1-2H3
InChIKeyGWKNOWMVYPBZAJ-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.39
Rot. Bonds4

About 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol

1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol (PubChem CID 107284909) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol
PubChem CID107284909
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Oc2cc(Br)ccc2C)cn1
InChIInChI=1S/C15H16BrNO2/c1-3-14(18)13-7-6-12(9-17-13)19-15-8-11(16)5-4-10(15)2/h4-9,14,18H,3H2,1-2H3
InChIKeyGWKNOWMVYPBZAJ-UHFFFAOYSA-N
XLogP4.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol
CID 107284882
(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol
CID 103939260
1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940525
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940517
(1R)-1-[5-(4-fluoro-3-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 103939285
(1S)-1-[5-(2-iodophenoxy)-2-pyridinyl]propan-1-ol
CID 103939168
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939114
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
(1R)-1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939075
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 112585568
(1S)-1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939120
1-(5-naphthalen-1-yloxy-2-pyridinyl)propan-1-ol
CID 115940536

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol (CID 107284909) is 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(Oc2cc(Br)ccc2C)cn1.
What is the InChIKey of 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol?
The InChIKey is GWKNOWMVYPBZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-3-14(18)13-7-6-12(9-17-13)19-15-8-11(16)5-4-10(15)2/h4-9,14,18H,3H2,1-2H3.
What are the key properties of 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol?
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol has a molecular weight of 322.20 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 107284909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).