2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol

C11H11F3O2 — CID 107104976

IUPAC2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol
SMILESC=C(C)C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H11F3O2/c1-7(2)10(15)8-4-3-5-9(6-8)16-11(12,13)14/h3-6,10,15H,1H2,2H3
InChIKeyMDDAJTQVNCBGBU-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.19
Rot. Bonds3

About 2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol

2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol (PubChem CID 107104976) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol
PubChem CID107104976
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol
SMILESC=C(C)C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H11F3O2/c1-7(2)10(15)8-4-3-5-9(6-8)16-11(12,13)14/h3-6,10,15H,1H2,2H3
InChIKeyMDDAJTQVNCBGBU-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-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

1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79189676
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
(1R)-3-methyl-1-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 171210205
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol
CID 115527715
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol?
The IUPAC name of 2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol (CID 107104976) is 2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol?
The canonical SMILES for 2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol is C=C(C)C(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol?
The InChIKey is MDDAJTQVNCBGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-7(2)10(15)8-4-3-5-9(6-8)16-11(12,13)14/h3-6,10,15H,1H2,2H3.
What are the key properties of 2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol?
2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol has a molecular weight of 232.20 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 107104976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).