[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol

C12H10Cl2N2O2 — CID 83184031

IUPAC[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(Oc2cc(Cl)ccc2Cl)ncc1CO
InChIInChI=1S/C12H10Cl2N2O2/c1-7-8(6-17)5-15-12(16-7)18-11-4-9(13)2-3-10(11)14/h2-5,17H,6H2,1H3
InChIKeySPXXBESISIZASQ-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.38
Rot. Bonds3

About [2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol

[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol (PubChem CID 83184031) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is [2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
PubChem CID83184031
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(Oc2cc(Cl)ccc2Cl)ncc1CO
InChIInChI=1S/C12H10Cl2N2O2/c1-7-8(6-17)5-15-12(16-7)18-11-4-9(13)2-3-10(11)14/h2-5,17H,6H2,1H3
InChIKeySPXXBESISIZASQ-UHFFFAOYSA-N
XLogP3.38
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol (CID 83184031) is [2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol is Cc1nc(Oc2cc(Cl)ccc2Cl)ncc1CO.
What is the InChIKey of [2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol?
The InChIKey is SPXXBESISIZASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-7-8(6-17)5-15-12(16-7)18-11-4-9(13)2-3-10(11)14/h2-5,17H,6H2,1H3.
What are the key properties of [2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol?
[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol has a molecular weight of 285.13 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83184031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).