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

C27H28FNO — CID 70263548

IUPAC7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cc3F)cc2)nc1
InChIInChI=1S/C27H28FNO/c1-3-7-22-11-17-27(29-19-22)24-14-12-23(13-15-24)25-16-10-21(18-26(25)28)9-6-4-5-8-20(2)30/h3,6,9-20,30H,1,4-5,7-8H2,2H3
InChIKeyZSXRXUWLWQDUBM-UHFFFAOYSA-N
MW401.53 g/mol
LogP6.85
Rot. Bonds9

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

7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol (PubChem CID 70263548) has the molecular formula C27H28FNO and a molecular weight of 401.53 g/mol. Its IUPAC name is 7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
PubChem CID70263548
Molecular FormulaC27H28FNO
Molecular Weight401.53 g/mol
Exact Mass401.22
IUPAC Name7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cc3F)cc2)nc1
InChIInChI=1S/C27H28FNO/c1-3-7-22-11-17-27(29-19-22)24-14-12-23(13-15-24)25-16-10-21(18-26(25)28)9-6-4-5-8-20(2)30/h3,6,9-20,30H,1,4-5,7-8H2,2H3
InChIKeyZSXRXUWLWQDUBM-UHFFFAOYSA-N
XLogP6.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 56.85
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-[6-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263740
(E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264311
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
(E)-7-[3-fluoro-4-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]phenyl]hept-6-en-2-ol
CID 70263409
(E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol
CID 70263936
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-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
(E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol
CID 70262804
7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263996
5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine
CID 70263243
7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263038

Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol?
The IUPAC name of 7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol (CID 70263548) is 7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol.
What is the SMILES notation for 7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol?
The canonical SMILES for 7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol is C=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cc3F)cc2)nc1.
What is the InChIKey of 7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol?
The InChIKey is ZSXRXUWLWQDUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO/c1-3-7-22-11-17-27(29-19-22)24-14-12-23(13-15-24)25-16-10-21(18-26(25)28)9-6-4-5-8-20(2)30/h3,6,9-20,30H,1,4-5,7-8H2,2H3.
What are the key properties of 7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol?
7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol has a molecular weight of 401.53 g/mol, XLogP of 6.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70263548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).