3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one

C18H12ClF3O4 — CID 1347027

IUPAC3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1OC
InChIInChI=1S/C18H12ClF3O4/c1-24-12-8-7-10-14(23)13(9-5-3-4-6-11(9)19)17(18(20,21)22)26-15(10)16(12)25-2/h3-8H,1-2H3
InChIKeySXDYPJUDNNLWIX-UHFFFAOYSA-N
MW384.74 g/mol
LogP5.15
Rot. Bonds3

About 3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one

3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one (PubChem CID 1347027) has the molecular formula C18H12ClF3O4 and a molecular weight of 384.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one
PubChem CID1347027
Molecular FormulaC18H12ClF3O4
Molecular Weight384.74 g/mol
Exact Mass384.04
IUPAC Name3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1OC
InChIInChI=1S/C18H12ClF3O4/c1-24-12-8-7-10-14(23)13(9-5-3-4-6-11(9)19)17(18(20,21)22)26-15(10)16(12)25-2/h3-8H,1-2H3
InChIKeySXDYPJUDNNLWIX-UHFFFAOYSA-N
XLogP5.15
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.74
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[7,8-dimethoxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]pyrazol-1-yl]benzonitrile
CID 164603788
7,8-dimethoxy-3-[1-(3-methylphenyl)pyrazol-4-yl]-2-(trifluoromethyl)chromen-4-one
CID 164603711
3-(2-chlorophenyl)-8-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 5449404
8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one
CID 2064053
3-(2-chlorophenyl)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 7897488
[3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 5198197
7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one
CID 5322217
8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one
CID 110275701
8-[(dimethylamino)methyl]-7-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one
CID 4609653
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
3-(4-fluorophenoxy)-7-methoxy-8-methyl-2-(trifluoromethyl)chromen-4-one
CID 1326489
1,3,5,6-tetramethoxy-4-phenylxanthen-9-one
CID 73351016

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one (CID 1347027) is 3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one is COc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1OC.
What is the InChIKey of 3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one?
The InChIKey is SXDYPJUDNNLWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3O4/c1-24-12-8-7-10-14(23)13(9-5-3-4-6-11(9)19)17(18(20,21)22)26-15(10)16(12)25-2/h3-8H,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one?
3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one has a molecular weight of 384.74 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-7,8-dimethoxy-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 1347027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).