1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol

C12H16ClFO2 — CID 116713638

IUPAC1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol
SMILESCCOC(C)(C)C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H16ClFO2/c1-4-16-12(2,3)11(15)9-6-5-8(13)7-10(9)14/h5-7,11,15H,4H2,1-3H3
InChIKeyPULWMYUXKOZTND-UHFFFAOYSA-N
MW246.71 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol

1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol (PubChem CID 116713638) has the molecular formula C12H16ClFO2 and a molecular weight of 246.71 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol
PubChem CID116713638
Molecular FormulaC12H16ClFO2
Molecular Weight246.71 g/mol
Exact Mass246.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol
SMILESCCOC(C)(C)C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H16ClFO2/c1-4-16-12(2,3)11(15)9-6-5-8(13)7-10(9)14/h5-7,11,15H,4H2,1-3H3
InChIKeyPULWMYUXKOZTND-UHFFFAOYSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-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

Related Compounds

3-(4-chloro-2-fluorophenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 114867065
2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 107128616
1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol
CID 116713564
1-(4-chloro-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 103457370
2-ethoxy-2-methyl-1-(2-methylphenyl)propan-1-ol
CID 116713777
1-(4-chloro-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 105022655
ethyl (3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanoate
CID 104980074
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
ethyl 2-(4-chloro-2-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 114843754
1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
CID 63082094
ethyl (3R)-3-amino-3-(4-chloro-2-fluorophenyl)propanoate;hydrochloride
CID 171202939
1-(4-chloro-2-fluorophenyl)-5,5-dimethylhex-3-yn-1-ol
CID 114190163

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol (CID 116713638) is 1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol is CCOC(C)(C)C(O)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol?
The InChIKey is PULWMYUXKOZTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO2/c1-4-16-12(2,3)11(15)9-6-5-8(13)7-10(9)14/h5-7,11,15H,4H2,1-3H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol?
1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol has a molecular weight of 246.71 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol is sourced from PubChem (CID 116713638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).