2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid

C17H10ClF3O4 — CID 142774384

IUPAC2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2OC1(Oc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C17H10ClF3O4/c18-11-5-3-6-12(9-11)24-16(17(19,20)21)13(15(22)23)8-10-4-1-2-7-14(10)25-16/h1-9H,(H,22,23)
InChIKeySMDKTUGURSKJQX-UHFFFAOYSA-N
MW370.71 g/mol
LogP4.54
Rot. Bonds3

About 2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid

2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid (PubChem CID 142774384) has the molecular formula C17H10ClF3O4 and a molecular weight of 370.71 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
PubChem CID142774384
Molecular FormulaC17H10ClF3O4
Molecular Weight370.71 g/mol
Exact Mass370.02
IUPAC Name2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2OC1(Oc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C17H10ClF3O4/c18-11-5-3-6-12(9-11)24-16(17(19,20)21)13(15(22)23)8-10-4-1-2-7-14(10)25-16/h1-9H,(H,22,23)
InChIKeySMDKTUGURSKJQX-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid?
The IUPAC name of 2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid (CID 142774384) is 2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid is O=C(O)C1=Cc2ccccc2OC1(Oc1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid?
The InChIKey is SMDKTUGURSKJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3O4/c18-11-5-3-6-12(9-11)24-16(17(19,20)21)13(15(22)23)8-10-4-1-2-7-14(10)25-16/h1-9H,(H,22,23).
What are the key properties of 2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid?
2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid has a molecular weight of 370.71 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid is sourced from PubChem (CID 142774384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).