3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol

C17H17FO — CID 70498757

IUPAC3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol
SMILESC=CCc1ccc(CCc2ccc(O)cc2F)cc1
InChIInChI=1S/C17H17FO/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-11-16(19)12-17(15)18/h2,4-7,10-12,19H,1,3,8-9H2
InChIKeyNJUGPSDPOFBJKO-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.05
Rot. Bonds5

About 3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol

3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol (PubChem CID 70498757) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol
PubChem CID70498757
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol
SMILESC=CCc1ccc(CCc2ccc(O)cc2F)cc1
InChIInChI=1S/C17H17FO/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-11-16(19)12-17(15)18/h2,4-7,10-12,19H,1,3,8-9H2
InChIKeyNJUGPSDPOFBJKO-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol?
The IUPAC name of 3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol (CID 70498757) is 3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol is C=CCc1ccc(CCc2ccc(O)cc2F)cc1.
What is the InChIKey of 3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol?
The InChIKey is NJUGPSDPOFBJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-11-16(19)12-17(15)18/h2,4-7,10-12,19H,1,3,8-9H2.
What are the key properties of 3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol?
3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol has a molecular weight of 256.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(4-prop-2-enylphenyl)ethyl]phenol is sourced from PubChem (CID 70498757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).