(E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol

C21H24FNO — CID 70264311

IUPAC(E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2F)nc1
InChIInChI=1S/C21H24FNO/c1-3-7-18-11-13-21(23-15-18)19-12-10-17(14-20(19)22)9-6-4-5-8-16(2)24/h3,6,9-16,24H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyKJMZAZQCQOVQHX-RMKNXTFCSA-N
MW325.43 g/mol
LogP5.18
Rot. Bonds8

About (E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol

(E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol (PubChem CID 70264311) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is (E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
PubChem CID70264311
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name(E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2F)nc1
InChIInChI=1S/C21H24FNO/c1-3-7-18-11-13-21(23-15-18)19-12-10-17(14-20(19)22)9-6-4-5-8-16(2)24/h3,6,9-16,24H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyKJMZAZQCQOVQHX-RMKNXTFCSA-N
XLogP5.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263548
7-[6-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263740
(E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol
CID 70262804
(E)-7-[3-fluoro-4-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]phenyl]hept-6-en-2-ol
CID 70263409
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
(E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol
CID 70263936
(E)-7-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]hept-6-en-2-ol
CID 70265240
7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263352
7-[2-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70262711
7-[4-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70261199
7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
(E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol
CID 70313141

Frequently Asked Questions

What is the IUPAC name of (E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol (CID 70264311) is (E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol is C=CCc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2F)nc1.
What is the InChIKey of (E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol?
The InChIKey is KJMZAZQCQOVQHX-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H24FNO/c1-3-7-18-11-13-21(23-15-18)19-12-10-17(14-20(19)22)9-6-4-5-8-16(2)24/h3,6,9-16,24H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of (E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol?
(E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol has a molecular weight of 325.43 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70264311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).