2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one

C21H23NO4 — CID 57249849

IUPAC2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCOc1ccc(N2C(=O)c3ccccc3C2O)cc1OC1CCCCC1
InChIInChI=1S/C21H23NO4/c1-25-18-12-11-14(13-19(18)26-15-7-3-2-4-8-15)22-20(23)16-9-5-6-10-17(16)21(22)24/h5-6,9-13,15,20,23H,2-4,7-8H2,1H3
InChIKeyJXKJKTVIDBZADA-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.06
Rot. Bonds4

About 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one

2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one (PubChem CID 57249849) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one
PubChem CID57249849
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCOc1ccc(N2C(=O)c3ccccc3C2O)cc1OC1CCCCC1
InChIInChI=1S/C21H23NO4/c1-25-18-12-11-14(13-19(18)26-15-7-3-2-4-8-15)22-20(23)16-9-5-6-10-17(16)21(22)24/h5-6,9-13,15,20,23H,2-4,7-8H2,1H3
InChIKeyJXKJKTVIDBZADA-UHFFFAOYSA-N
XLogP4.06
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methoxy-3H-isoindol-1-one
CID 57240400
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-(cyclopropylmethyl)-3H-isoindol-1-one
CID 57088865
ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate
CID 57138770
2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one
CID 57045932
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 67670844
3-(cyclopropylmethyl)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3H-isoindol-1-one
CID 57121512
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-ethenyl-5,6-dimethyl-3H-isoindol-1-one
CID 142627972
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one
CID 54425395
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
2-(3-cyclopentyloxy-4-methoxyphenyl)-6-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-3H-isoindol-1-one
CID 70162783
6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 57148496
3-amino-2-[3-(cyclopentylmethoxy)-4-methoxyphenyl]-3H-isoindol-1-one
CID 57121295

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one (CID 57249849) is 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one is COc1ccc(N2C(=O)c3ccccc3C2O)cc1OC1CCCCC1.
What is the InChIKey of 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one?
The InChIKey is JXKJKTVIDBZADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-25-18-12-11-14(13-19(18)26-15-7-3-2-4-8-15)22-20(23)16-9-5-6-10-17(16)21(22)24/h5-6,9-13,15,20,23H,2-4,7-8H2,1H3.
What are the key properties of 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one?
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one has a molecular weight of 353.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 57249849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).