4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one

C16H7Cl2F3O3 — CID 18977322

IUPAC4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(Oc2c(Cl)cccc2Cl)c2c(C(F)(F)F)cccc2o1
InChIInChI=1S/C16H7Cl2F3O3/c17-9-4-2-5-10(18)15(9)24-12-7-13(22)23-11-6-1-3-8(14(11)12)16(19,20)21/h1-7H
InChIKeyPXUUIKKCUMPFHT-UHFFFAOYSA-N
MW375.13 g/mol
LogP5.91
Rot. Bonds2

About 4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one

4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one (PubChem CID 18977322) has the molecular formula C16H7Cl2F3O3 and a molecular weight of 375.13 g/mol. Its IUPAC name is 4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one
PubChem CID18977322
Molecular FormulaC16H7Cl2F3O3
Molecular Weight375.13 g/mol
Exact Mass373.97
IUPAC Name4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(Oc2c(Cl)cccc2Cl)c2c(C(F)(F)F)cccc2o1
InChIInChI=1S/C16H7Cl2F3O3/c17-9-4-2-5-10(18)15(9)24-12-7-13(22)23-11-6-1-3-8(14(11)12)16(19,20)21/h1-7H
InChIKeyPXUUIKKCUMPFHT-UHFFFAOYSA-N
XLogP5.91
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.13
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one?
The IUPAC name of 4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one (CID 18977322) is 4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one is O=c1cc(Oc2c(Cl)cccc2Cl)c2c(C(F)(F)F)cccc2o1.
What is the InChIKey of 4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one?
The InChIKey is PXUUIKKCUMPFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Cl2F3O3/c17-9-4-2-5-10(18)15(9)24-12-7-13(22)23-11-6-1-3-8(14(11)12)16(19,20)21/h1-7H.
What are the key properties of 4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one?
4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one has a molecular weight of 375.13 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 18977322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).