4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one

C16H13Cl2NO2 — CID 156892033

IUPAC4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2c(OCc3ccc(Cl)cc3Cl)cccc2C1=O
InChIInChI=1S/C16H13Cl2NO2/c1-19-8-13-12(16(19)20)3-2-4-15(13)21-9-10-5-6-11(17)7-14(10)18/h2-7H,8-9H2,1H3
InChIKeyOTCXGGJBTGJXKQ-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.16
Rot. Bonds3

About 4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one

4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one (PubChem CID 156892033) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
PubChem CID156892033
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2c(OCc3ccc(Cl)cc3Cl)cccc2C1=O
InChIInChI=1S/C16H13Cl2NO2/c1-19-8-13-12(16(19)20)3-2-4-15(13)21-9-10-5-6-11(17)7-14(10)18/h2-7H,8-9H2,1H3
InChIKeyOTCXGGJBTGJXKQ-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
CID 156892057
4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 60705420
5-[(2,4-dichlorophenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 7385182
4-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 60705375
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
(3Z)-3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-propylindol-2-one
CID 126126074
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 23822412
(5Z)-3-butyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126068806
4-[(2-chlorophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 118118498
4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38724959

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one?
The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one (CID 156892033) is 4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one is CN1Cc2c(OCc3ccc(Cl)cc3Cl)cccc2C1=O.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one?
The InChIKey is OTCXGGJBTGJXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c1-19-8-13-12(16(19)20)3-2-4-15(13)21-9-10-5-6-11(17)7-14(10)18/h2-7H,8-9H2,1H3.
What are the key properties of 4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one?
4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one has a molecular weight of 322.19 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 156892033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).