3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one

C15H12ClNO2 — CID 5222390

IUPAC3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one
SMILESCOC1(c2ccc(Cl)cc2)NC(=O)c2ccccc21
InChIInChI=1S/C15H12ClNO2/c1-19-15(10-6-8-11(16)9-7-10)13-5-3-2-4-12(13)14(18)17-15/h2-9H,1H3,(H,17,18)
InChIKeyUDOFLZXMYNIXSO-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.93
Rot. Bonds2

About 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one

3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one (PubChem CID 5222390) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one
PubChem CID5222390
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one
SMILESCOC1(c2ccc(Cl)cc2)NC(=O)c2ccccc21
InChIInChI=1S/C15H12ClNO2/c1-19-15(10-6-8-11(16)9-7-10)13-5-3-2-4-12(13)14(18)17-15/h2-9H,1H3,(H,17,18)
InChIKeyUDOFLZXMYNIXSO-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819
4-chloro-N-(2,3-dichloro-1-methoxy-4-oxonaphthalen-1-yl)benzenesulfonamide
CID 3093672
dimethyl 3-oxo-2H-isoindole-1,1-dicarboxylate
CID 125471809
(3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one
CID 132502408
3-[2-(4-chlorophenyl)-1,1-difluoro-2-oxoethyl]-3-phenyl-2H-isoindol-1-one
CID 162410839
2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
CID 162641844
1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one
CID 57337797
(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one
CID 124705216
dimethyl 6-chloro-3-oxo-2H-isoindole-1,1-dicarboxylate
CID 125471489
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one
CID 10612963
3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-hydroxyisoindol-1-one
CID 58433814

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one (CID 5222390) is 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one is COC1(c2ccc(Cl)cc2)NC(=O)c2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one?
The InChIKey is UDOFLZXMYNIXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-19-15(10-6-8-11(16)9-7-10)13-5-3-2-4-12(13)14(18)17-15/h2-9H,1H3,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one?
3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one has a molecular weight of 273.72 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one is sourced from PubChem (CID 5222390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).