1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol

C12H11F3O2 — CID 117123033

IUPAC1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol
SMILESCc1c(C(C)O)oc2cccc(C(F)(F)F)c12
InChIInChI=1S/C12H11F3O2/c1-6-10-8(12(13,14)15)4-3-5-9(10)17-11(6)7(2)16/h3-5,7,16H,1-2H3
InChIKeyVOQHFCURMLEVHT-UHFFFAOYSA-N
MW244.21 g/mol
LogP3.81
Rot. Bonds1

About 1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol

1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol (PubChem CID 117123033) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol
PubChem CID117123033
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol
SMILESCc1c(C(C)O)oc2cccc(C(F)(F)F)c12
InChIInChI=1S/C12H11F3O2/c1-6-10-8(12(13,14)15)4-3-5-9(10)17-11(6)7(2)16/h3-5,7,16H,1-2H3
InChIKeyVOQHFCURMLEVHT-UHFFFAOYSA-N
XLogP3.81
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol 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-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol
CID 117119220
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
CID 62500368
2-methyl-4-(trifluoromethyl)-1-benzofuran
CID 175846735
2-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-one
CID 146009043
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
2,4-ditert-butyl-3-methyl-1-benzofuran
CID 134415276
3-(1-hydroxyethyl)-5-(trifluoromethyl)-1H-quinolin-4-one
CID 90869470
8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one
CID 177434460
2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole
CID 130953338
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 115795995

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol?
The IUPAC name of 1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol (CID 117123033) is 1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol.
What is the SMILES notation for 1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol?
The canonical SMILES for 1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol is Cc1c(C(C)O)oc2cccc(C(F)(F)F)c12.
What is the InChIKey of 1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol?
The InChIKey is VOQHFCURMLEVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c1-6-10-8(12(13,14)15)4-3-5-9(10)17-11(6)7(2)16/h3-5,7,16H,1-2H3.
What are the key properties of 1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol?
1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol has a molecular weight of 244.21 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol is sourced from PubChem (CID 117123033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).