6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol

C8H11FO3 — CID 45120079

IUPAC6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=CC(OC)C(F)C(O)=C1
InChIInChI=1S/C8H11FO3/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4,7-8,10H,1-2H3
InChIKeySTYZNGJOOLNTLI-UHFFFAOYSA-N
MW174.17 g/mol
LogP1.33
Rot. Bonds2

About 6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol

6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol (PubChem CID 45120079) has the molecular formula C8H11FO3 and a molecular weight of 174.17 g/mol. Its IUPAC name is 6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol
PubChem CID45120079
Molecular FormulaC8H11FO3
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=CC(OC)C(F)C(O)=C1
InChIInChI=1S/C8H11FO3/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4,7-8,10H,1-2H3
InChIKeySTYZNGJOOLNTLI-UHFFFAOYSA-N
XLogP1.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol 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 6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol (CID 45120079) is 6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol is COC1=CC(OC)C(F)C(O)=C1.
What is the InChIKey of 6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol?
The InChIKey is STYZNGJOOLNTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO3/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4,7-8,10H,1-2H3.
What are the key properties of 6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol?
6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol has a molecular weight of 174.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,5-dimethoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 45120079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).