7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol

C20H24N2O2 — CID 70262934

IUPAC7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1cnc(-c2ccc(C=CCCCC(C)O)cc2)nc1
InChIInChI=1S/C20H24N2O2/c1-3-13-24-19-14-21-20(22-15-19)18-11-9-17(10-12-18)8-6-4-5-7-16(2)23/h3,6,8-12,14-16,23H,1,4-5,7,13H2,2H3
InChIKeyUUMMKGFVGPMQID-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.27
Rot. Bonds9

About 7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol

7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol (PubChem CID 70262934) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol
PubChem CID70262934
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1cnc(-c2ccc(C=CCCCC(C)O)cc2)nc1
InChIInChI=1S/C20H24N2O2/c1-3-13-24-19-14-21-20(22-15-19)18-11-9-17(10-12-18)8-6-4-5-7-16(2)23/h3,6,8-12,14-16,23H,1,4-5,7,13H2,2H3
InChIKeyUUMMKGFVGPMQID-UHFFFAOYSA-N
XLogP4.27
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.27
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
(E)-7-[4-(5-decoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol
CID 19352520
7-[3-fluoro-4-[2-(4-prop-2-enoxyphenyl)pyrimidin-5-yl]phenyl]hept-6-en-2-ol
CID 70262851
(E)-7-[6-[4-(4-prop-2-enoxyphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263832
(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70264367
5-[4-(6-fluorohept-1-enyl)phenyl]-2-(4-prop-2-enoxyphenyl)pyrimidine
CID 70127662
7-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]hept-6-en-2-ol
CID 70263386
(E)-7-[6-(6-prop-2-enoxynaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70260765
7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol
CID 70263119
(E)-7-[4-[2-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]phenyl]hept-6-en-2-ol
CID 70265319
7-[4-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70261199
7-[4-[4-(6-prop-2-enyl-3-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263140

Frequently Asked Questions

What is the IUPAC name of 7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol?
The IUPAC name of 7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol (CID 70262934) is 7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol.
What is the SMILES notation for 7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol?
The canonical SMILES for 7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol is C=CCOc1cnc(-c2ccc(C=CCCCC(C)O)cc2)nc1.
What is the InChIKey of 7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol?
The InChIKey is UUMMKGFVGPMQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-13-24-19-14-21-20(22-15-19)18-11-9-17(10-12-18)8-6-4-5-7-16(2)23/h3,6,8-12,14-16,23H,1,4-5,7,13H2,2H3.
What are the key properties of 7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol?
7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol has a molecular weight of 324.42 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70262934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).