(E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol

C13H11FN2O — CID 22630878

IUPAC(E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc(-c2ncccn2)cc1F
InChIInChI=1S/C13H11FN2O/c14-12-9-11(13-15-6-2-7-16-13)5-4-10(12)3-1-8-17/h1-7,9,17H,8H2/b3-1+
InChIKeyMILVORKLIIEEPK-HNQUOIGGSA-N
MW230.24 g/mol
LogP2.29
Rot. Bonds3

About (E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol

(E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol (PubChem CID 22630878) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is (E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol
PubChem CID22630878
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name(E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc(-c2ncccn2)cc1F
InChIInChI=1S/C13H11FN2O/c14-12-9-11(13-15-6-2-7-16-13)5-4-10(12)3-1-8-17/h1-7,9,17H,8H2/b3-1+
InChIKeyMILVORKLIIEEPK-HNQUOIGGSA-N
XLogP2.29
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol (CID 22630878) is (E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol is OC/C=C/c1ccc(-c2ncccn2)cc1F.
What is the InChIKey of (E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol?
The InChIKey is MILVORKLIIEEPK-HNQUOIGGSA-N. The full InChI is InChI=1S/C13H11FN2O/c14-12-9-11(13-15-6-2-7-16-13)5-4-10(12)3-1-8-17/h1-7,9,17H,8H2/b3-1+.
What are the key properties of (E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol?
(E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol has a molecular weight of 230.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 22630878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).