(E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol

C21H24FNO2 — CID 70313141

IUPAC(E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2F)cn1
InChIInChI=1S/C21H24FNO2/c1-3-13-25-21-12-10-18(15-23-21)19-11-9-17(14-20(19)22)8-6-4-5-7-16(2)24/h3,6,8-12,14-16,24H,1,4-5,7,13H2,2H3/b8-6+
InChIKeyNQRVZUCRWAOIPG-SOFGYWHQSA-N
MW341.43 g/mol
LogP5.02
Rot. Bonds9

About (E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol

(E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol (PubChem CID 70313141) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is (E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol
PubChem CID70313141
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name(E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2F)cn1
InChIInChI=1S/C21H24FNO2/c1-3-13-25-21-12-10-18(15-23-21)19-11-9-17(14-20(19)22)8-6-4-5-7-16(2)24/h3,6,8-12,14-16,24H,1,4-5,7,13H2,2H3/b8-6+
InChIKeyNQRVZUCRWAOIPG-SOFGYWHQSA-N
XLogP5.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.43
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(4-prop-2-enoxyphenyl)pyrimidin-5-yl]phenyl]hept-6-en-2-ol
CID 70262851
(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70265166
7-[3-fluoro-4-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]phenyl]hept-6-en-2-ol
CID 70263223
(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70261014
7-[4-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70261199
(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
(E)-7-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]hept-6-en-2-ol
CID 70265240
7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263548
5-[4-[2-fluoro-4-(6-hydroxyhept-1-enyl)phenyl]phenyl]-1H-pyrimidin-2-one
CID 54458157
(E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264311
7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70260643

Frequently Asked Questions

What is the IUPAC name of (E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol (CID 70313141) is (E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol is C=CCOc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2F)cn1.
What is the InChIKey of (E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol?
The InChIKey is NQRVZUCRWAOIPG-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-3-13-25-21-12-10-18(15-23-21)19-11-9-17(14-20(19)22)8-6-4-5-7-16(2)24/h3,6,8-12,14-16,24H,1,4-5,7,13H2,2H3/b8-6+.
What are the key properties of (E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol?
(E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol has a molecular weight of 341.43 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70313141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).