[2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol

C16H11Cl2NO2 — CID 28964083

IUPAC[2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11Cl2NO2/c17-12-5-6-13(18)15(8-12)21-16-11(9-20)7-10-3-1-2-4-14(10)19-16/h1-8,20H,9H2
InChIKeyRGKZWDVBXLNTGG-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.83
Rot. Bonds3

About [2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol

[2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol (PubChem CID 28964083) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is [2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol
PubChem CID28964083
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name[2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11Cl2NO2/c17-12-5-6-13(18)15(8-12)21-16-11(9-20)7-10-3-1-2-4-14(10)19-16/h1-8,20H,9H2
InChIKeyRGKZWDVBXLNTGG-UHFFFAOYSA-N
XLogP4.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 63653966
[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol
CID 63036604
3-(bromomethyl)-2-(2,4-dichlorophenoxy)quinoline
CID 107087175
2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline
CID 107088617
3-(bromomethyl)-2-(2-chlorophenoxy)quinoline
CID 107086929
[2-(2,5-dichlorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478483
[4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 61229145
[2-(3-fluoro-4-methylphenoxy)quinolin-3-yl]methanol
CID 107169696
[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 83184031
4-(chloromethyl)-1-(2,5-dichlorophenoxy)isoquinoline
CID 106769473
2-[2-(4-chlorophenoxy)quinolin-3-yl]ethanamine
CID 63804294
[2-(2,5-dichlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61257315

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol?
The IUPAC name of [2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol (CID 28964083) is [2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol.
What is the SMILES notation for [2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol?
The canonical SMILES for [2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol is OCc1cc2ccccc2nc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol?
The InChIKey is RGKZWDVBXLNTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-12-5-6-13(18)15(8-12)21-16-11(9-20)7-10-3-1-2-4-14(10)19-16/h1-8,20H,9H2.
What are the key properties of [2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol?
[2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol has a molecular weight of 320.18 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol is sourced from PubChem (CID 28964083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).