4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one

C12H15NO2 — CID 84734053

IUPAC4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one
SMILESCOc1cccc2c1C(C(C)C)NC2=O
InChIInChI=1S/C12H15NO2/c1-7(2)11-10-8(12(14)13-11)5-4-6-9(10)15-3/h4-7,11H,1-3H3,(H,13,14)
InChIKeyUHHXOYUVGCHJOA-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.14
Rot. Bonds2

About 4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one

4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one (PubChem CID 84734053) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one
PubChem CID84734053
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one
SMILESCOc1cccc2c1C(C(C)C)NC2=O
InChIInChI=1S/C12H15NO2/c1-7(2)11-10-8(12(14)13-11)5-4-6-9(10)15-3/h4-7,11H,1-3H3,(H,13,14)
InChIKeyUHHXOYUVGCHJOA-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one
CID 82076967
4-methoxy-3-methyl-3H-2-benzofuran-1-one
CID 585356
7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one
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(3S)-3-hydroxy-4-methoxy-3H-2-benzofuran-1-one
CID 135372257
3-[3-(3,4-dimethoxyphenyl)-1-methoxypropyl]-2,3-dihydroisoindol-1-one
CID 21460539
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CID 171252504
(7R)-7-(2,6-dimethoxyphenyl)azepan-2-one
CID 129395184
(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 2412090
2-(5-methoxy-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)acetic acid
CID 84628079
5-methoxy-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 82126298
(3R)-3-[1-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,3-dihydroisoindol-1-one
CID 67689383
1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79906777

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one (CID 84734053) is 4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one is COc1cccc2c1C(C(C)C)NC2=O.
What is the InChIKey of 4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one?
The InChIKey is UHHXOYUVGCHJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7(2)11-10-8(12(14)13-11)5-4-6-9(10)15-3/h4-7,11H,1-3H3,(H,13,14).
What are the key properties of 4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one?
4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one has a molecular weight of 205.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 84734053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).