5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one

C16H14ClNO2 — CID 10660972

IUPAC5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one
SMILESCc1ccccc1C1(O)c2cc(Cl)ccc2C(=O)N1C
InChIInChI=1S/C16H14ClNO2/c1-10-5-3-4-6-13(10)16(20)14-9-11(17)7-8-12(14)15(19)18(16)2/h3-9,20H,1-2H3
InChIKeyUHOUPTPQHTVYFJ-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.93
Rot. Bonds1

About 5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one

5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one (PubChem CID 10660972) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one
PubChem CID10660972
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one
SMILESCc1ccccc1C1(O)c2cc(Cl)ccc2C(=O)N1C
InChIInChI=1S/C16H14ClNO2/c1-10-5-3-4-6-13(10)16(20)14-9-11(17)7-8-12(14)15(19)18(16)2/h3-9,20H,1-2H3
InChIKeyUHOUPTPQHTVYFJ-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2,3,3-trimethylisoindol-1-one
CID 102337025
(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
CID 848840
2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide
CID 154163731
5-chloro-3-(2-chlorophenyl)-3-hydroxy-1,8a-dihydroazirino[1,2-b]isoquinolin-8-one
CID 5256865
8-chloro-9b-(3-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 23178321
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-hydroxyisoindol-1-one
CID 58433814
3,3-bis(hydroxymethyl)-2-methylisoindol-1-one;ethane
CID 90770318
9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14592317
5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 102474299
9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14592318

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one?
The IUPAC name of 5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one (CID 10660972) is 5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one.
What is the SMILES notation for 5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one?
The canonical SMILES for 5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one is Cc1ccccc1C1(O)c2cc(Cl)ccc2C(=O)N1C.
What is the InChIKey of 5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one?
The InChIKey is UHOUPTPQHTVYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-10-5-3-4-6-13(10)16(20)14-9-11(17)7-8-12(14)15(19)18(16)2/h3-9,20H,1-2H3.
What are the key properties of 5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one?
5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one has a molecular weight of 287.75 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-2-methyl-3-(2-methylphenyl)isoindol-1-one is sourced from PubChem (CID 10660972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).