2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C11H10F6O3 — CID 118535888

IUPAC2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCOc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1OC
InChIInChI=1S/C11H10F6O3/c1-19-7-4-3-6(5-8(7)20-2)9(18,10(12,13)14)11(15,16)17/h3-5,18H,1-2H3
InChIKeyXVPCYMBCRWLNEL-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.02
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 118535888) has the molecular formula C11H10F6O3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID118535888
Molecular FormulaC11H10F6O3
Molecular Weight304.19 g/mol
Exact Mass304.05
IUPAC Name2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCOc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1OC
InChIInChI=1S/C11H10F6O3/c1-19-7-4-3-6(5-8(7)20-2)9(18,10(12,13)14)11(15,16)17/h3-5,18H,1-2H3
InChIKeyXVPCYMBCRWLNEL-UHFFFAOYSA-N
XLogP3.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-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

2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 14438707
1,1,1,3,3,3-hexafluoro-2-[3-methoxy-4-(prop-2-ynylamino)phenyl]propan-2-ol
CID 171616327
1,1-bis(3,4-dimethoxyphenyl)prop-2-yn-1-ol
CID 20771267
2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
CID 116535938
1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 631065
1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
1,1,1,3,3-pentafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]butan-2-ol
CID 156598959
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
2-(4-amino-3-propan-2-yloxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89215606
3-(3,4-dimethoxyphenyl)-3,3-difluoropropanenitrile
CID 116840688
1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 118535888) is 2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is COc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is XVPCYMBCRWLNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O3/c1-19-7-4-3-6(5-8(7)20-2)9(18,10(12,13)14)11(15,16)17/h3-5,18H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 304.19 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 118535888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).