[3-(2-chloropyrimidin-4-yl)phenyl]methanol

C11H9ClN2O — CID 24901878

IUPAC[3-(2-chloropyrimidin-4-yl)phenyl]methanol
SMILESOCc1cccc(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C11H9ClN2O/c12-11-13-5-4-10(14-11)9-3-1-2-8(6-9)7-15/h1-6,15H,7H2
InChIKeyOKUZPLMHADFIMS-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.29
Rot. Bonds2

About [3-(2-chloropyrimidin-4-yl)phenyl]methanol

[3-(2-chloropyrimidin-4-yl)phenyl]methanol (PubChem CID 24901878) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is [3-(2-chloropyrimidin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-chloropyrimidin-4-yl)phenyl]methanol
PubChem CID24901878
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name[3-(2-chloropyrimidin-4-yl)phenyl]methanol
SMILESOCc1cccc(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C11H9ClN2O/c12-11-13-5-4-10(14-11)9-3-1-2-8(6-9)7-15/h1-6,15H,7H2
InChIKeyOKUZPLMHADFIMS-UHFFFAOYSA-N
XLogP2.29
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chloropyrimidin-4-yl)phenyl]methanol?
The IUPAC name of [3-(2-chloropyrimidin-4-yl)phenyl]methanol (CID 24901878) is [3-(2-chloropyrimidin-4-yl)phenyl]methanol.
What is the SMILES notation for [3-(2-chloropyrimidin-4-yl)phenyl]methanol?
The canonical SMILES for [3-(2-chloropyrimidin-4-yl)phenyl]methanol is OCc1cccc(-c2ccnc(Cl)n2)c1.
What is the InChIKey of [3-(2-chloropyrimidin-4-yl)phenyl]methanol?
The InChIKey is OKUZPLMHADFIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-11-13-5-4-10(14-11)9-3-1-2-8(6-9)7-15/h1-6,15H,7H2.
What are the key properties of [3-(2-chloropyrimidin-4-yl)phenyl]methanol?
[3-(2-chloropyrimidin-4-yl)phenyl]methanol has a molecular weight of 220.66 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloropyrimidin-4-yl)phenyl]methanol is sourced from PubChem (CID 24901878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).