(E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid

C10H7F3O3 — CID 134650042

IUPAC(E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1c(O)cccc1C(F)(F)F
InChIInChI=1S/C10H7F3O3/c11-10(12,13)7-2-1-3-8(14)6(7)4-5-9(15)16/h1-5,14H,(H,15,16)/b5-4+
InChIKeyBMSCFJRZIZWERJ-SNAWJCMRSA-N
MW232.16 g/mol
LogP2.51
Rot. Bonds2

About (E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid

(E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid (PubChem CID 134650042) has the molecular formula C10H7F3O3 and a molecular weight of 232.16 g/mol. Its IUPAC name is (E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid
PubChem CID134650042
Molecular FormulaC10H7F3O3
Molecular Weight232.16 g/mol
Exact Mass232.03
IUPAC Name(E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1c(O)cccc1C(F)(F)F
InChIInChI=1S/C10H7F3O3/c11-10(12,13)7-2-1-3-8(14)6(7)4-5-9(15)16/h1-5,14H,(H,15,16)/b5-4+
InChIKeyBMSCFJRZIZWERJ-SNAWJCMRSA-N
XLogP2.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid 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

(E)-3-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]prop-2-enoic acid
CID 134621672
3-[2-bromo-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 131869163
(E)-3-[2-iodo-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 134650038
(E)-3-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]prop-2-enoic acid
CID 119000940
3-[2-methoxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 131869157
3-[2-(1-bromo-2-oxopropyl)-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 170837348
3-[2-(2-carboxyethenyl)-3-hydroxyphenyl]prop-2-enoic acid
CID 54408784
(E)-3-[2-iodo-3-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 134650049
(E)-3-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]prop-2-enoic acid
CID 118845939
(E)-3-[4-iodo-2,6-bis(trifluoromethyl)phenyl]prop-2-enoic acid
CID 119003651
3-[2-amino-6-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482319
3-(2,3,6-trihydroxyphenyl)prop-2-enoic acid
CID 91065425

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid (CID 134650042) is (E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1c(O)cccc1C(F)(F)F.
What is the InChIKey of (E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid?
The InChIKey is BMSCFJRZIZWERJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H7F3O3/c11-10(12,13)7-2-1-3-8(14)6(7)4-5-9(15)16/h1-5,14H,(H,15,16)/b5-4+.
What are the key properties of (E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid?
(E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid has a molecular weight of 232.16 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-hydroxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 134650042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).