6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C17H10ClF3O4 — CID 11257238

IUPAC6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)cc(-c3ccc(O)cc3)c2OC1C(F)(F)F
InChIInChI=1S/C17H10ClF3O4/c18-10-5-9-6-13(16(23)24)15(17(19,20)21)25-14(9)12(7-10)8-1-3-11(22)4-2-8/h1-7,15,22H,(H,23,24)
InChIKeyJDTBZAHAUIUATQ-UHFFFAOYSA-N
MW370.71 g/mol
LogP4.50
Rot. Bonds2

About 6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 11257238) has the molecular formula C17H10ClF3O4 and a molecular weight of 370.71 g/mol. Its IUPAC name is 6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID11257238
Molecular FormulaC17H10ClF3O4
Molecular Weight370.71 g/mol
Exact Mass370.02
IUPAC Name6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)cc(-c3ccc(O)cc3)c2OC1C(F)(F)F
InChIInChI=1S/C17H10ClF3O4/c18-10-5-9-6-13(16(23)24)15(17(19,20)21)25-14(9)12(7-10)8-1-3-11(22)4-2-8/h1-7,15,22H,(H,23,24)
InChIKeyJDTBZAHAUIUATQ-UHFFFAOYSA-N
XLogP4.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 11257238) is 6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(O)cc3)c2OC1C(F)(F)F.
What is the InChIKey of 6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is JDTBZAHAUIUATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3O4/c18-10-5-9-6-13(16(23)24)15(17(19,20)21)25-14(9)12(7-10)8-1-3-11(22)4-2-8/h1-7,15,22H,(H,23,24).
What are the key properties of 6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 370.71 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 11257238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).