5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one

C22H19Cl2NO3 — CID 7541857

IUPAC5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one
SMILESC[C@H]1Cc2ccccc2N1Cc1cc(=O)c(OCc2ccc(Cl)cc2Cl)co1
InChIInChI=1S/C22H19Cl2NO3/c1-14-8-15-4-2-3-5-20(15)25(14)11-18-10-21(26)22(13-27-18)28-12-16-6-7-17(23)9-19(16)24/h2-7,9-10,13-14H,8,11-12H2,1H3/t14-/m0/s1
InChIKeyNHUWNWQZABMZLH-AWEZNQCLSA-N
MW416.30 g/mol
LogP5.48
Rot. Bonds5

About 5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one

5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one (PubChem CID 7541857) has the molecular formula C22H19Cl2NO3 and a molecular weight of 416.30 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one
PubChem CID7541857
Molecular FormulaC22H19Cl2NO3
Molecular Weight416.30 g/mol
Exact Mass415.07
IUPAC Name5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one
SMILESC[C@H]1Cc2ccccc2N1Cc1cc(=O)c(OCc2ccc(Cl)cc2Cl)co1
InChIInChI=1S/C22H19Cl2NO3/c1-14-8-15-4-2-3-5-20(15)25(14)11-18-10-21(26)22(13-27-18)28-12-16-6-7-17(23)9-19(16)24/h2-7,9-10,13-14H,8,11-12H2,1H3/t14-/m0/s1
InChIKeyNHUWNWQZABMZLH-AWEZNQCLSA-N
XLogP5.48
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.30
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one with MolForge

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Related Compounds

2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 7541783
2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 7178264
N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
CID 7541807
methyl 4-[[2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetyl]amino]benzoate
CID 41184704
5-[(2,4-dichlorophenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one
CID 7541859
5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one
CID 7541832
5-[(4-chlorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16803006
1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole
CID 141125701
5-[(3-chlorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16803011
3-(2,4-dichlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100607219
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 7178427
1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199924

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one (CID 7541857) is 5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one is C[C@H]1Cc2ccccc2N1Cc1cc(=O)c(OCc2ccc(Cl)cc2Cl)co1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one?
The InChIKey is NHUWNWQZABMZLH-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19Cl2NO3/c1-14-8-15-4-2-3-5-20(15)25(14)11-18-10-21(26)22(13-27-18)28-12-16-6-7-17(23)9-19(16)24/h2-7,9-10,13-14H,8,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one?
5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one has a molecular weight of 416.30 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 7541857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).