6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C12H9F3O5 — CID 158268069

IUPAC6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCOc1cc(O)cc2c1OC(C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C12H9F3O5/c1-19-8-4-6(16)2-5-3-7(11(17)18)10(12(13,14)15)20-9(5)8/h2-4,10,16H,1H3,(H,17,18)
InChIKeyUJYIXOHNJNVQKG-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.19
Rot. Bonds2

About 6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 158268069) has the molecular formula C12H9F3O5 and a molecular weight of 290.19 g/mol. Its IUPAC name is 6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID158268069
Molecular FormulaC12H9F3O5
Molecular Weight290.19 g/mol
Exact Mass290.04
IUPAC Name6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCOc1cc(O)cc2c1OC(C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C12H9F3O5/c1-19-8-4-6(16)2-5-3-7(11(17)18)10(12(13,14)15)20-9(5)8/h2-4,10,16H,1H3,(H,17,18)
InChIKeyUJYIXOHNJNVQKG-UHFFFAOYSA-N
XLogP2.19
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-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

8-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 52942642
(2S)-8-ethyl-6-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 158478916
6-chloro-8-(2-methoxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 174366672
6,8-ditert-butyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 10108917
6-iodo-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934724
5,8-dichloro-6,7-dimethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11417441
(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11533484
6-bromo-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934890
8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid
CID 71731734
(2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 124584837
6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11257238
sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride
CID 174500739

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 158268069) is 6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is COc1cc(O)cc2c1OC(C(F)(F)F)C(C(=O)O)=C2.
What is the InChIKey of 6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is UJYIXOHNJNVQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O5/c1-19-8-4-6(16)2-5-3-7(11(17)18)10(12(13,14)15)20-9(5)8/h2-4,10,16H,1H3,(H,17,18).
What are the key properties of 6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 290.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 158268069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).