(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol

C26H27FO2 — CID 70261014

IUPAC(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1ccc2cc(-c3ccc(/C=C/CCCC(C)O)cc3F)ccc2c1
InChIInChI=1S/C26H27FO2/c1-3-15-29-24-13-12-21-17-23(11-10-22(21)18-24)25-14-9-20(16-26(25)27)8-6-4-5-7-19(2)28/h3,6,8-14,16-19,28H,1,4-5,7,15H2,2H3/b8-6+
InChIKeyFFAFESYCLOIVDL-SOFGYWHQSA-N
MW390.50 g/mol
LogP6.78
Rot. Bonds9

About (E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol

(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol (PubChem CID 70261014) has the molecular formula C26H27FO2 and a molecular weight of 390.50 g/mol. Its IUPAC name is (E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
PubChem CID70261014
Molecular FormulaC26H27FO2
Molecular Weight390.50 g/mol
Exact Mass390.20
IUPAC Name(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1ccc2cc(-c3ccc(/C=C/CCCC(C)O)cc3F)ccc2c1
InChIInChI=1S/C26H27FO2/c1-3-15-29-24-13-12-21-17-23(11-10-22(21)18-24)25-14-9-20(16-26(25)27)8-6-4-5-7-19(2)28/h3,6,8-14,16-19,28H,1,4-5,7,15H2,2H3/b8-6+
InChIKeyFFAFESYCLOIVDL-SOFGYWHQSA-N
XLogP6.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 56.78
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'}

Analyze (E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)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

(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70264367
(E)-7-[4-[2-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]phenyl]hept-6-en-2-ol
CID 70265319
7-[3-fluoro-4-[2-(4-prop-2-enoxyphenyl)pyrimidin-5-yl]phenyl]hept-6-en-2-ol
CID 70262851
7-[3-fluoro-4-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]phenyl]hept-6-en-2-ol
CID 70263223
7-[4-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70261199
(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
(E)-7-[6-(6-prop-2-enoxynaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70260765
7-[5-(6-prop-2-enoxynaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70265197
(E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70260799
7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70262916
(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70265166

Frequently Asked Questions

What is the IUPAC name of (E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol (CID 70261014) is (E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol is C=CCOc1ccc2cc(-c3ccc(/C=C/CCCC(C)O)cc3F)ccc2c1.
What is the InChIKey of (E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol?
The InChIKey is FFAFESYCLOIVDL-SOFGYWHQSA-N. The full InChI is InChI=1S/C26H27FO2/c1-3-15-29-24-13-12-21-17-23(11-10-22(21)18-24)25-14-9-20(16-26(25)27)8-6-4-5-7-19(2)28/h3,6,8-14,16-19,28H,1,4-5,7,15H2,2H3/b8-6+.
What are the key properties of (E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol?
(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol has a molecular weight of 390.50 g/mol, XLogP of 6.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70261014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).