7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol

C20H23FN2O2 — CID 70263119

IUPAC7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ncc(C=CCCCC(C)O)cn2)cc1F
InChIInChI=1S/C20H23FN2O2/c1-3-11-25-19-10-9-17(12-18(19)21)20-22-13-16(14-23-20)8-6-4-5-7-15(2)24/h3,6,8-10,12-15,24H,1,4-5,7,11H2,2H3
InChIKeyYXMRRTWYSCUYFU-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.41
Rot. Bonds9

About 7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol

7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol (PubChem CID 70263119) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol
PubChem CID70263119
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ncc(C=CCCCC(C)O)cn2)cc1F
InChIInChI=1S/C20H23FN2O2/c1-3-11-25-19-10-9-17(12-18(19)21)20-22-13-16(14-23-20)8-6-4-5-7-15(2)24/h3,6,8-10,12-15,24H,1,4-5,7,11H2,2H3
InChIKeyYXMRRTWYSCUYFU-UHFFFAOYSA-N
XLogP4.41
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-[3-fluoro-4-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]phenyl]hept-6-en-2-ol
CID 70263223
7-[3-fluoro-4-[2-(4-prop-2-enoxyphenyl)pyrimidin-5-yl]phenyl]hept-6-en-2-ol
CID 70262851
7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol
CID 70262934
(E)-7-[4-[5-(3-fluoro-4-prop-2-enylphenyl)pyrimidin-2-yl]phenyl]hept-6-en-2-ol
CID 70260977
7-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]hept-6-en-2-ol
CID 70263386
4-[2-[3-fluoro-4-[(E)-6-hydroxyhept-1-enyl]phenyl]pyrimidin-5-yl]phenol
CID 19352655
(E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol
CID 70313141
7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70260643
(E)-7-[4-[2-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]phenyl]hept-6-en-2-ol
CID 70265319
(E)-7-[3-fluoro-4-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]phenyl]hept-6-en-2-ol
CID 70263409
7-[4-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70261199
7-[2-fluoro-4-[5-(4-prop-2-enoxyphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70260796

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol?
The IUPAC name of 7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol (CID 70263119) is 7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol.
What is the SMILES notation for 7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol?
The canonical SMILES for 7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol is C=CCOc1ccc(-c2ncc(C=CCCCC(C)O)cn2)cc1F.
What is the InChIKey of 7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol?
The InChIKey is YXMRRTWYSCUYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-3-11-25-19-10-9-17(12-18(19)21)20-22-13-16(14-23-20)8-6-4-5-7-15(2)24/h3,6,8-10,12-15,24H,1,4-5,7,11H2,2H3.
What are the key properties of 7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol?
7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol has a molecular weight of 342.41 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol is sourced from PubChem (CID 70263119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).