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

C27H27F2NO2 — CID 70260643

IUPAC7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cc3)cn2)c(F)c1F
InChIInChI=1S/C27H27F2NO2/c1-3-17-32-25-16-14-23(26(28)27(25)29)24-15-13-22(18-30-24)21-11-9-20(10-12-21)8-6-4-5-7-19(2)31/h3,6,8-16,18-19,31H,1,4-5,7,17H2,2H3
InChIKeyPALACGVKCISUMU-UHFFFAOYSA-N
MW435.51 g/mol
LogP6.82
Rot. Bonds10

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

7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol (PubChem CID 70260643) has the molecular formula C27H27F2NO2 and a molecular weight of 435.51 g/mol. Its IUPAC name is 7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
PubChem CID70260643
Molecular FormulaC27H27F2NO2
Molecular Weight435.51 g/mol
Exact Mass435.20
IUPAC Name7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cc3)cn2)c(F)c1F
InChIInChI=1S/C27H27F2NO2/c1-3-17-32-25-16-14-23(26(28)27(25)29)24-15-13-22(18-30-24)21-11-9-20(10-12-21)8-6-4-5-7-19(2)31/h3,6,8-16,18-19,31H,1,4-5,7,17H2,2H3
InChIKeyPALACGVKCISUMU-UHFFFAOYSA-N
XLogP6.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 56.82
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'}

Analyze 7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol with MolForge

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Related Compounds

7-[4-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70261199
(E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70263841
(E)-7-[2,3-difluoro-4-(5-prop-2-enoxy-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264356
7-[2,3-difluoro-4-(5-prop-2-enoxy-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264361
2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol
CID 54157007
(E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol
CID 70313141
(E)-7-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]hept-6-en-2-ol
CID 70265240
7-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70260867
(E)-7-[6-[4-(4-prop-2-enoxyphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263832
7-[2-(3-fluoro-4-prop-2-enoxyphenyl)pyrimidin-5-yl]hept-6-en-2-ol
CID 70263119
7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
(E)-7-[4-[2-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]phenyl]hept-6-en-2-ol
CID 70265319

Frequently Asked Questions

What is the IUPAC name of 7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol?
The IUPAC name of 7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol (CID 70260643) is 7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol.
What is the SMILES notation for 7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol?
The canonical SMILES for 7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol is C=CCOc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cc3)cn2)c(F)c1F.
What is the InChIKey of 7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol?
The InChIKey is PALACGVKCISUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2NO2/c1-3-17-32-25-16-14-23(26(28)27(25)29)24-15-13-22(18-30-24)21-11-9-20(10-12-21)8-6-4-5-7-19(2)31/h3,6,8-16,18-19,31H,1,4-5,7,17H2,2H3.
What are the key properties of 7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol?
7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol has a molecular weight of 435.51 g/mol, XLogP of 6.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70260643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).