3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one

C27H19ClFNO4 — CID 2387610

IUPAC3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one
SMILESCc1[nH]c2ccccc2c1C(=O)COc1ccc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2c1
InChIInChI=1S/C27H19ClFNO4/c1-14-24(17-6-3-4-9-21(17)30-14)22(31)13-33-16-10-11-18-23(12-16)34-15(2)25(27(18)32)26-19(28)7-5-8-20(26)29/h3-12,30H,13H2,1-2H3
InChIKeySNGKCBHXMDOJDV-UHFFFAOYSA-N
MW475.90 g/mol
LogP6.61
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one

3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one (PubChem CID 2387610) has the molecular formula C27H19ClFNO4 and a molecular weight of 475.90 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one
PubChem CID2387610
Molecular FormulaC27H19ClFNO4
Molecular Weight475.90 g/mol
Exact Mass475.10
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one
SMILESCc1[nH]c2ccccc2c1C(=O)COc1ccc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2c1
InChIInChI=1S/C27H19ClFNO4/c1-14-24(17-6-3-4-9-21(17)30-14)22(31)13-33-16-10-11-18-23(12-16)34-15(2)25(27(18)32)26-19(28)7-5-8-20(26)29/h3-12,30H,13H2,1-2H3
InChIKeySNGKCBHXMDOJDV-UHFFFAOYSA-N
XLogP6.61
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.90
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide
CID 7613115
2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2108311
[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl] 2,6-difluorobenzoate
CID 16546836
4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one
CID 37238310
2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 7751372
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791394
2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 7763763
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821333
2-[3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 6955021
[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 16605005
2-[3-(4-fluorophenoxy)-2-methyl-4-oxochromen-7-yl]oxy-N-(2-fluorophenyl)acetamide
CID 2405473
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862850

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one (CID 2387610) is 3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one is Cc1[nH]c2ccccc2c1C(=O)COc1ccc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2c1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one?
The InChIKey is SNGKCBHXMDOJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClFNO4/c1-14-24(17-6-3-4-9-21(17)30-14)22(31)13-33-16-10-11-18-23(12-16)34-15(2)25(27(18)32)26-19(28)7-5-8-20(26)29/h3-12,30H,13H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one?
3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one has a molecular weight of 475.90 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one is sourced from PubChem (CID 2387610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).