3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one

C16H8ClF3O3 — CID 148520275

IUPAC3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H8ClF3O3/c17-9-2-4-11(13(6-9)16(18,19)20)12-5-8-1-3-10(21)7-14(8)23-15(12)22/h1-7,21H
InChIKeyMOGNKLDOEHJSCJ-UHFFFAOYSA-N
MW340.68 g/mol
LogP4.84
Rot. Bonds1

About 3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one

3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one (PubChem CID 148520275) has the molecular formula C16H8ClF3O3 and a molecular weight of 340.68 g/mol. Its IUPAC name is 3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one.

Molecular Properties

Compound Name3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one
PubChem CID148520275
Molecular FormulaC16H8ClF3O3
Molecular Weight340.68 g/mol
Exact Mass340.01
IUPAC Name3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H8ClF3O3/c17-9-2-4-11(13(6-9)16(18,19)20)12-5-8-1-3-10(21)7-14(8)23-15(12)22/h1-7,21H
InChIKeyMOGNKLDOEHJSCJ-UHFFFAOYSA-N
XLogP4.84
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.68
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-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

Related Compounds

3-[4-hydroxy-2-(trifluoromethyl)phenyl]-7-methylchromen-2-one;propan-2-one
CID 145263250
3-[4-ethyl-2-(trifluoromethoxy)phenyl]-7-hydroxychromen-2-one
CID 138735929
3-(2,4-diethylphenyl)-7-hydroxychromen-2-one
CID 126606459
3-(4-bromophenyl)-7-hydroxychromen-2-one
CID 5393163
7-hydroxy-3-pyrimidin-2-ylchromen-2-one
CID 137183754
7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one
CID 71722134
[3-bromo-4-(7-hydroxy-2-oxochromen-3-yl)phenyl] acetate
CID 132583696
7-methoxy-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-2-one
CID 166685930
7-hydroxy-3-(5-methyl-1,3,4-thiadiazol-2-yl)chromen-2-one
CID 158909644
7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
CID 11703726
3-amino-7-hydroxychromen-2-one;ethane
CID 145140351
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118822699

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one?
The IUPAC name of 3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one (CID 148520275) is 3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one.
What is the SMILES notation for 3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one?
The canonical SMILES for 3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one is O=c1oc2cc(O)ccc2cc1-c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one?
The InChIKey is MOGNKLDOEHJSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF3O3/c17-9-2-4-11(13(6-9)16(18,19)20)12-5-8-1-3-10(21)7-14(8)23-15(12)22/h1-7,21H.
What are the key properties of 3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one?
3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one has a molecular weight of 340.68 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one is sourced from PubChem (CID 148520275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).