1-(3-pyrimidin-2-yloxyphenyl)ethanone

C12H10N2O2 — CID 2764392

IUPAC1-(3-pyrimidin-2-yloxyphenyl)ethanone
SMILESCC(=O)c1cccc(Oc2ncccn2)c1
InChIInChI=1S/C12H10N2O2/c1-9(15)10-4-2-5-11(8-10)16-12-13-6-3-7-14-12/h2-8H,1H3
InChIKeyOMHNTGPQUCHKHG-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.47
Rot. Bonds3

About 1-(3-pyrimidin-2-yloxyphenyl)ethanone

1-(3-pyrimidin-2-yloxyphenyl)ethanone (PubChem CID 2764392) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(3-pyrimidin-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-pyrimidin-2-yloxyphenyl)ethanone
PubChem CID2764392
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name1-(3-pyrimidin-2-yloxyphenyl)ethanone
SMILESCC(=O)c1cccc(Oc2ncccn2)c1
InChIInChI=1S/C12H10N2O2/c1-9(15)10-4-2-5-11(8-10)16-12-13-6-3-7-14-12/h2-8H,1H3
InChIKeyOMHNTGPQUCHKHG-UHFFFAOYSA-N
XLogP2.47
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrimidin-2-yloxyphenyl)ethanone?
The IUPAC name of 1-(3-pyrimidin-2-yloxyphenyl)ethanone (CID 2764392) is 1-(3-pyrimidin-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(3-pyrimidin-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-(3-pyrimidin-2-yloxyphenyl)ethanone is CC(=O)c1cccc(Oc2ncccn2)c1.
What is the InChIKey of 1-(3-pyrimidin-2-yloxyphenyl)ethanone?
The InChIKey is OMHNTGPQUCHKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-9(15)10-4-2-5-11(8-10)16-12-13-6-3-7-14-12/h2-8H,1H3.
What are the key properties of 1-(3-pyrimidin-2-yloxyphenyl)ethanone?
1-(3-pyrimidin-2-yloxyphenyl)ethanone has a molecular weight of 214.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrimidin-2-yloxyphenyl)ethanone is sourced from PubChem (CID 2764392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).