(E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol

C27H27F2NO — CID 70263841

IUPAC(E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)cc3)nc2)c(F)c1F
InChIInChI=1S/C27H27F2NO/c1-3-7-22-14-16-24(27(29)26(22)28)23-15-17-25(30-18-23)21-12-10-20(11-13-21)9-6-4-5-8-19(2)31/h3,6,9-19,31H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyCDNKNZXQXHBJEK-RMKNXTFCSA-N
MW419.52 g/mol
LogP6.99
Rot. Bonds9

About (E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol

(E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol (PubChem CID 70263841) has the molecular formula C27H27F2NO and a molecular weight of 419.52 g/mol. Its IUPAC name is (E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
PubChem CID70263841
Molecular FormulaC27H27F2NO
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name(E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)cc3)nc2)c(F)c1F
InChIInChI=1S/C27H27F2NO/c1-3-7-22-14-16-24(27(29)26(22)28)23-15-17-25(30-18-23)21-12-10-20(11-13-21)9-6-4-5-8-19(2)31/h3,6,9-19,31H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyCDNKNZXQXHBJEK-RMKNXTFCSA-N
XLogP6.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 56.99
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

5-(2,3-difluoro-4-prop-2-enylphenyl)-2-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]pyridine
CID 70265006
2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol
CID 54157007
7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263996
(E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70260799
7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
7-[6-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263740
7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263352
2-(2,3-difluoro-4-prop-2-enylphenyl)-5-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]pyridine
CID 70264236
7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263548
7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70260643
(E)-7-[4-[5-(3-fluoro-4-prop-2-enylphenyl)pyrimidin-2-yl]phenyl]hept-6-en-2-ol
CID 70260977

Frequently Asked Questions

What is the IUPAC name of (E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol (CID 70263841) is (E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol is C=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)cc3)nc2)c(F)c1F.
What is the InChIKey of (E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol?
The InChIKey is CDNKNZXQXHBJEK-RMKNXTFCSA-N. The full InChI is InChI=1S/C27H27F2NO/c1-3-7-22-14-16-24(27(29)26(22)28)23-15-17-25(30-18-23)21-12-10-20(11-13-21)9-6-4-5-8-19(2)31/h3,6,9-19,31H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of (E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol?
(E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol has a molecular weight of 419.52 g/mol, XLogP of 6.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70263841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).