3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol

C13H14N2O2 — CID 54511340

IUPAC3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol
SMILESOCCCc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C13H14N2O2/c16-10-1-3-11-4-6-12(7-5-11)17-13-14-8-2-9-15-13/h2,4-9,16H,1,3,10H2
InChIKeyDQOZYFDPEZRKRE-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.19
Rot. Bonds5

About 3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol

3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol (PubChem CID 54511340) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol
PubChem CID54511340
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol
SMILESOCCCc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C13H14N2O2/c16-10-1-3-11-4-6-12(7-5-11)17-13-14-8-2-9-15-13/h2,4-9,16H,1,3,10H2
InChIKeyDQOZYFDPEZRKRE-UHFFFAOYSA-N
XLogP2.19
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol?
The IUPAC name of 3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol (CID 54511340) is 3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol?
The canonical SMILES for 3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol is OCCCc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol?
The InChIKey is DQOZYFDPEZRKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-10-1-3-11-4-6-12(7-5-11)17-13-14-8-2-9-15-13/h2,4-9,16H,1,3,10H2.
What are the key properties of 3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol?
3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol has a molecular weight of 230.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol is sourced from PubChem (CID 54511340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).