2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one

C21H23NO4 — CID 57045932

IUPAC2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one
SMILESCOc1ccc(N2C(=O)c3c(O)cccc3C2C)cc1OC1CCCC1
InChIInChI=1S/C21H23NO4/c1-13-16-8-5-9-17(23)20(16)21(24)22(13)14-10-11-18(25-2)19(12-14)26-15-6-3-4-7-15/h5,8-13,15,23H,3-4,6-7H2,1-2H3
InChIKeyGHFUVAKYLJRUBM-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.44
Rot. Bonds4

About 2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one

2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one (PubChem CID 57045932) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one
PubChem CID57045932
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one
SMILESCOc1ccc(N2C(=O)c3c(O)cccc3C2C)cc1OC1CCCC1
InChIInChI=1S/C21H23NO4/c1-13-16-8-5-9-17(23)20(16)21(24)22(13)14-10-11-18(25-2)19(12-14)26-15-6-3-4-7-15/h5,8-13,15,23H,3-4,6-7H2,1-2H3
InChIKeyGHFUVAKYLJRUBM-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
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-hydroxy-3H-isoindol-1-one
CID 57249849
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 67670844
6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 57148496
2-(3-cyclopentyloxy-4-methoxyphenyl)-6-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-3H-isoindol-1-one
CID 70162783
2-(3-cyclopentyloxy-4-methoxyphenyl)-6-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methyl-3H-isoindol-1-one
CID 70164981
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-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindole-5-carbonyl]-3-hydroxy-3H-pyrrolo[3,4-c]pyridin-1-one
CID 70166646
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindole-5-carbonyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 142678896
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-ethenyl-5,6-dimethyl-3H-isoindol-1-one
CID 142627972
2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide
CID 142665218

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one?
The IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one (CID 57045932) is 2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one.
What is the SMILES notation for 2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one?
The canonical SMILES for 2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one is COc1ccc(N2C(=O)c3c(O)cccc3C2C)cc1OC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one?
The InChIKey is GHFUVAKYLJRUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13-16-8-5-9-17(23)20(16)21(24)22(13)14-10-11-18(25-2)19(12-14)26-15-6-3-4-7-15/h5,8-13,15,23H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one?
2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one has a molecular weight of 353.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one is sourced from PubChem (CID 57045932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).