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

C21H25NO — CID 70264345

IUPAC(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2)nc1
InChIInChI=1S/C21H25NO/c1-3-7-19-12-15-21(22-16-19)20-13-10-18(11-14-20)9-6-4-5-8-17(2)23/h3,6,9-17,23H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyQSIVHIIJBQGHGU-RMKNXTFCSA-N
MW307.44 g/mol
LogP5.04
Rot. Bonds8

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

(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol (PubChem CID 70264345) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
PubChem CID70264345
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2)nc1
InChIInChI=1S/C21H25NO/c1-3-7-19-12-15-21(22-16-19)20-13-10-18(11-14-20)9-6-4-5-8-17(2)23/h3,6,9-17,23H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyQSIVHIIJBQGHGU-RMKNXTFCSA-N
XLogP5.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.04
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-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263352
7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263548
7-[6-(6-prop-2-enylnaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70263718
7-[6-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263740
7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263038
7-[2-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70262711
7-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]hept-6-en-2-ol
CID 70263386
(E)-7-[5-(4-prop-2-enylphenyl)pyrazin-2-yl]hept-6-en-2-ol
CID 70263498
(E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264311
7-[4-[4-(6-prop-2-enyl-3-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263140
(E)-7-[6-[4-(4-prop-2-enoxyphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263832

Frequently Asked Questions

What is the IUPAC name of (E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol (CID 70264345) is (E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol is C=CCc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2)nc1.
What is the InChIKey of (E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol?
The InChIKey is QSIVHIIJBQGHGU-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H25NO/c1-3-7-19-12-15-21(22-16-19)20-13-10-18(11-14-20)9-6-4-5-8-17(2)23/h3,6,9-17,23H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of (E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol?
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol has a molecular weight of 307.44 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70264345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).