(1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol

C13H14N2O3 — CID 94830433

IUPAC(1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol
SMILESCOc1ccnc(Oc2ccc([C@H](C)O)cc2)n1
InChIInChI=1S/C13H14N2O3/c1-9(16)10-3-5-11(6-4-10)18-13-14-8-7-12(15-13)17-2/h3-9,16H,1-2H3/t9-/m0/s1
InChIKeyIAIJGAASMNTKKI-VIFPVBQESA-N
MW246.27 g/mol
LogP2.33
Rot. Bonds4

About (1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol

(1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol (PubChem CID 94830433) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol
PubChem CID94830433
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol
SMILESCOc1ccnc(Oc2ccc([C@H](C)O)cc2)n1
InChIInChI=1S/C13H14N2O3/c1-9(16)10-3-5-11(6-4-10)18-13-14-8-7-12(15-13)17-2/h3-9,16H,1-2H3/t9-/m0/s1
InChIKeyIAIJGAASMNTKKI-VIFPVBQESA-N
XLogP2.33
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol?
The IUPAC name of (1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol (CID 94830433) is (1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol is COc1ccnc(Oc2ccc([C@H](C)O)cc2)n1.
What is the InChIKey of (1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol?
The InChIKey is IAIJGAASMNTKKI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(16)10-3-5-11(6-4-10)18-13-14-8-7-12(15-13)17-2/h3-9,16H,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol?
(1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol has a molecular weight of 246.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol is sourced from PubChem (CID 94830433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).