4-fluoro-6-methylcyclohexa-1,5-dien-1-ol

C7H9FO — CID 89265195

IUPAC4-fluoro-6-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=CC(F)CC=C1O
InChIInChI=1S/C7H9FO/c1-5-4-6(8)2-3-7(5)9/h3-4,6,9H,2H2,1H3
InChIKeyOTDSPHLUJOFTMD-UHFFFAOYSA-N
MW128.15 g/mol
LogP2.12
Rot. Bonds

About 4-fluoro-6-methylcyclohexa-1,5-dien-1-ol

4-fluoro-6-methylcyclohexa-1,5-dien-1-ol (PubChem CID 89265195) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is 4-fluoro-6-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-fluoro-6-methylcyclohexa-1,5-dien-1-ol
PubChem CID89265195
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name4-fluoro-6-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=CC(F)CC=C1O
InChIInChI=1S/C7H9FO/c1-5-4-6(8)2-3-7(5)9/h3-4,6,9H,2H2,1H3
InChIKeyOTDSPHLUJOFTMD-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-6-methylcyclohexa-1,5-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 4-fluoro-6-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-fluoro-6-methylcyclohexa-1,5-dien-1-ol (CID 89265195) is 4-fluoro-6-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-fluoro-6-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-fluoro-6-methylcyclohexa-1,5-dien-1-ol is CC1=CC(F)CC=C1O.
What is the InChIKey of 4-fluoro-6-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is OTDSPHLUJOFTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c1-5-4-6(8)2-3-7(5)9/h3-4,6,9H,2H2,1H3.
What are the key properties of 4-fluoro-6-methylcyclohexa-1,5-dien-1-ol?
4-fluoro-6-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 128.15 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89265195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).