1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol

C16H15Cl2FO — CID 114832731

IUPAC1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1ccccc1F)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2FO/c1-16(20,9-11-5-2-3-8-15(11)19)10-12-13(17)6-4-7-14(12)18/h2-8,20H,9-10H2,1H3
InChIKeyMCOLDAMFOJCFHD-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.67
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol

1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 114832731) has the molecular formula C16H15Cl2FO and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
PubChem CID114832731
Molecular FormulaC16H15Cl2FO
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1ccccc1F)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2FO/c1-16(20,9-11-5-2-3-8-15(11)19)10-12-13(17)6-4-7-14(12)18/h2-8,20H,9-10H2,1H3
InChIKeyMCOLDAMFOJCFHD-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-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

1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832677
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol
CID 66038942
1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol
CID 114832660
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
1-(2-fluorophenyl)-2-methylhexan-2-ol
CID 114832673
1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656406
1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939
2-(2,3-dichlorophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 114833591
2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 63406675
2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 107359205

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol (CID 114832731) is 1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol is CC(O)(Cc1ccccc1F)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is MCOLDAMFOJCFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FO/c1-16(20,9-11-5-2-3-8-15(11)19)10-12-13(17)6-4-7-14(12)18/h2-8,20H,9-10H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 313.20 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114832731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).