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

C11H8Cl2N2O2 — CID 113387915

IUPAC[2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol
SMILESOCc1cnc(Oc2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C11H8Cl2N2O2/c12-8-1-9(13)3-10(2-8)17-11-14-4-7(6-16)5-15-11/h1-5,16H,6H2
InChIKeyQBLOAAFTFXMFDZ-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.07
Rot. Bonds3

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

[2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol (PubChem CID 113387915) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is [2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol
PubChem CID113387915
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name[2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol
SMILESOCc1cnc(Oc2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C11H8Cl2N2O2/c12-8-1-9(13)3-10(2-8)17-11-14-4-7(6-16)5-15-11/h1-5,16H,6H2
InChIKeyQBLOAAFTFXMFDZ-UHFFFAOYSA-N
XLogP3.07
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol (CID 113387915) is [2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol is OCc1cnc(Oc2cc(Cl)cc(Cl)c2)nc1.
What is the InChIKey of [2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol?
The InChIKey is QBLOAAFTFXMFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c12-8-1-9(13)3-10(2-8)17-11-14-4-7(6-16)5-15-11/h1-5,16H,6H2.
What are the key properties of [2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol?
[2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol has a molecular weight of 271.10 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenoxy)pyrimidin-5-yl]methanol is sourced from PubChem (CID 113387915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).