(E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol

C22H25FO — CID 70263936

IUPAC(E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2)c(F)c1
InChIInChI=1S/C22H25FO/c1-3-7-19-12-15-21(22(23)16-19)20-13-10-18(11-14-20)9-6-4-5-8-17(2)24/h3,6,9-17,24H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyKUNJGYLONRJDKY-RMKNXTFCSA-N
MW324.44 g/mol
LogP5.79
Rot. Bonds8

About (E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol

(E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol (PubChem CID 70263936) has the molecular formula C22H25FO and a molecular weight of 324.44 g/mol. Its IUPAC name is (E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol
PubChem CID70263936
Molecular FormulaC22H25FO
Molecular Weight324.44 g/mol
Exact Mass324.19
IUPAC Name(E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2)c(F)c1
InChIInChI=1S/C22H25FO/c1-3-7-19-12-15-21(22(23)16-19)20-13-10-18(11-14-20)9-6-4-5-8-17(2)24/h3,6,9-17,24H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyKUNJGYLONRJDKY-RMKNXTFCSA-N
XLogP5.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.44
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[6-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263740
7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263548
(E)-7-[3-fluoro-4-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]phenyl]hept-6-en-2-ol
CID 70263409
(E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264311
(E)-7-[4-[2-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]phenyl]hept-6-en-2-ol
CID 70265319
(E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol
CID 70262804
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
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-[6-(6-prop-2-enylnaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70263718
7-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]hept-6-en-2-ol
CID 70263386
(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70261014

Frequently Asked Questions

What is the IUPAC name of (E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol (CID 70263936) is (E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol is C=CCc1ccc(-c2ccc(/C=C/CCCC(C)O)cc2)c(F)c1.
What is the InChIKey of (E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol?
The InChIKey is KUNJGYLONRJDKY-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H25FO/c1-3-7-19-12-15-21(22(23)16-19)20-13-10-18(11-14-20)9-6-4-5-8-17(2)24/h3,6,9-17,24H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of (E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol?
(E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol has a molecular weight of 324.44 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70263936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).