6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid

C14H11F3O3 — CID 174490468

IUPAC6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2)C=CC1(O)C(F)(F)F
InChIInChI=1S/C14H11F3O3/c15-14(16,17)13(20)7-6-10(8-11(13)12(18)19)9-4-2-1-3-5-9/h1-8,11,20H,(H,18,19)
InChIKeyITPXHWUDLSSOLZ-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.63
Rot. Bonds2

About 6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid

6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 174490468) has the molecular formula C14H11F3O3 and a molecular weight of 284.23 g/mol. Its IUPAC name is 6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid
PubChem CID174490468
Molecular FormulaC14H11F3O3
Molecular Weight284.23 g/mol
Exact Mass284.07
IUPAC Name6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2)C=CC1(O)C(F)(F)F
InChIInChI=1S/C14H11F3O3/c15-14(16,17)13(20)7-6-10(8-11(13)12(18)19)9-4-2-1-3-5-9/h1-8,11,20H,(H,18,19)
InChIKeyITPXHWUDLSSOLZ-UHFFFAOYSA-N
XLogP2.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic 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

6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 154825090
6,6-diamino-3-(3-carboxyphenyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 70193751
6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 175508520
6-chloro-1-methyl-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 170991470
methyl 1-fluoro-4-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylate
CID 170991837
6-chloro-4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 126737103
2-(6-chloro-6-methyl-3-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 174698946
1-ethyl-6-methyl-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 175370493
6,6-diamino-3-phenylcyclohexa-2,4-diene-1-thiol
CID 88638911
N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 174606849
6-bromo-1-methoxy-4-phenylcyclohexa-2,4-dien-1-ol
CID 142666137
1-amino-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 56924481

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid (CID 174490468) is 6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid is O=C(O)C1C=C(c2ccccc2)C=CC1(O)C(F)(F)F.
What is the InChIKey of 6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is ITPXHWUDLSSOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O3/c15-14(16,17)13(20)7-6-10(8-11(13)12(18)19)9-4-2-1-3-5-9/h1-8,11,20H,(H,18,19).
What are the key properties of 6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid?
6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 174490468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).