6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C17H10ClF3O4 — CID 53324322

IUPAC6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2c(ccc(Cl)c2Oc2ccccc2)OC1C(F)(F)F
InChIInChI=1S/C17H10ClF3O4/c18-12-6-7-13-10(14(12)24-9-4-2-1-3-5-9)8-11(16(22)23)15(25-13)17(19,20)21/h1-8,15H,(H,22,23)
InChIKeyHVQDIKGNRQZLDX-UHFFFAOYSA-N
MW370.71 g/mol
LogP4.92
Rot. Bonds3

About 6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 53324322) has the molecular formula C17H10ClF3O4 and a molecular weight of 370.71 g/mol. Its IUPAC name is 6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID53324322
Molecular FormulaC17H10ClF3O4
Molecular Weight370.71 g/mol
Exact Mass370.02
IUPAC Name6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2c(ccc(Cl)c2Oc2ccccc2)OC1C(F)(F)F
InChIInChI=1S/C17H10ClF3O4/c18-12-6-7-13-10(14(12)24-9-4-2-1-3-5-9)8-11(16(22)23)15(25-13)17(19,20)21/h1-8,15H,(H,22,23)
InChIKeyHVQDIKGNRQZLDX-UHFFFAOYSA-N
XLogP4.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 53324322) is 6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2c(ccc(Cl)c2Oc2ccccc2)OC1C(F)(F)F.
What is the InChIKey of 6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is HVQDIKGNRQZLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3O4/c18-12-6-7-13-10(14(12)24-9-4-2-1-3-5-9)8-11(16(22)23)15(25-13)17(19,20)21/h1-8,15H,(H,22,23).
What are the key properties of 6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 370.71 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 53324322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).