3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol

C11H11F3O2 — CID 165468349

IUPAC3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol
SMILESC=C(OCC)c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3O2/c1-3-16-7(2)8-4-9(11(12,13)14)6-10(15)5-8/h4-6,15H,2-3H2,1H3
InChIKeyCEQINOZXLJYPBR-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.42
Rot. Bonds3

About 3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol

3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol (PubChem CID 165468349) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol
PubChem CID165468349
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol
SMILESC=C(OCC)c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3O2/c1-3-16-7(2)8-4-9(11(12,13)14)6-10(15)5-8/h4-6,15H,2-3H2,1H3
InChIKeyCEQINOZXLJYPBR-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol 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

ethyl 4-[3-hydroxy-5-(trifluoromethyl)phenyl]but-3-enoate
CID 170796694
3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide
CID 67415645
1-[3,5-bis(trifluoromethyl)phenyl]ethenyl acetate
CID 131847273
3-(1-ethoxyethenyl)-5-fluoroaniline
CID 165464501
3-(1-ethoxyethenyl)-5-methylbenzoic acid
CID 165467871
ethyl 3-chloro-5-(trifluoromethyl)benzoate
CID 46311318
3-propoxy-5-(trifluoromethyl)phenol
CID 118342805
diethyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]propanedioate
CID 33240327
ethyl (2E)-2-[[3,5-bis(trifluoromethyl)benzoyl]hydrazinylidene]propanoate
CID 142705383
ethyl 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-2-oxobut-3-enoate
CID 76738963
3,5-bis(trifluoromethyl)phenol;dichlorozirconium
CID 174355043
3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol
CID 131614389

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol?
The IUPAC name of 3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol (CID 165468349) is 3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol is C=C(OCC)c1cc(O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol?
The InChIKey is CEQINOZXLJYPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-3-16-7(2)8-4-9(11(12,13)14)6-10(15)5-8/h4-6,15H,2-3H2,1H3.
What are the key properties of 3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol?
3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol has a molecular weight of 232.20 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 165468349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).