4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene

C15H17FO — CID 167001306

IUPAC4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene
SMILESC=C/C(F)=C\C=C(/C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C15H17FO/c1-5-14(16)8-7-13(4)17-15-9-6-11(2)12(3)10-15/h5-10H,1H2,2-4H3/b13-7+,14-8+
InChIKeyLYCPZBINMLNKRB-FNCQTZNRSA-N
MW232.30 g/mol
LogP4.63
Rot. Bonds4

About 4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene

4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene (PubChem CID 167001306) has the molecular formula C15H17FO and a molecular weight of 232.30 g/mol. Its IUPAC name is 4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene
PubChem CID167001306
Molecular FormulaC15H17FO
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene
SMILESC=C/C(F)=C\C=C(/C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C15H17FO/c1-5-14(16)8-7-13(4)17-15-9-6-11(2)12(3)10-15/h5-10H,1H2,2-4H3/b13-7+,14-8+
InChIKeyLYCPZBINMLNKRB-FNCQTZNRSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene 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 4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene?
The IUPAC name of 4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene (CID 167001306) is 4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene.
What is the SMILES notation for 4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene?
The canonical SMILES for 4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene is C=C/C(F)=C\C=C(/C)Oc1ccc(C)c(C)c1.
What is the InChIKey of 4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene?
The InChIKey is LYCPZBINMLNKRB-FNCQTZNRSA-N. The full InChI is InChI=1S/C15H17FO/c1-5-14(16)8-7-13(4)17-15-9-6-11(2)12(3)10-15/h5-10H,1H2,2-4H3/b13-7+,14-8+.
What are the key properties of 4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene?
4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene has a molecular weight of 232.30 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene is sourced from PubChem (CID 167001306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).