3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol

C12H16ClFO2 — CID 81218227

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COCc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFO2/c1-12(2,7-15)8-16-6-9-10(13)4-3-5-11(9)14/h3-5,15H,6-8H2,1-2H3
InChIKeyMHUTUFLFNDINBM-UHFFFAOYSA-N
MW246.71 g/mol
LogP3.01
Rot. Bonds5

About 3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol

3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol (PubChem CID 81218227) has the molecular formula C12H16ClFO2 and a molecular weight of 246.71 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol
PubChem CID81218227
Molecular FormulaC12H16ClFO2
Molecular Weight246.71 g/mol
Exact Mass246.08
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COCc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFO2/c1-12(2,7-15)8-16-6-9-10(13)4-3-5-11(9)14/h3-5,15H,6-8H2,1-2H3
InChIKeyMHUTUFLFNDINBM-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-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 3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol (CID 81218227) is 3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol is CC(C)(CO)COCc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol?
The InChIKey is MHUTUFLFNDINBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO2/c1-12(2,7-15)8-16-6-9-10(13)4-3-5-11(9)14/h3-5,15H,6-8H2,1-2H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol?
3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol has a molecular weight of 246.71 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81218227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).