2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one

C23H25NO4 — CID 54425395

IUPAC2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one
SMILESCOc1ccc(N2C(=O)c3ccccc3C2(O)C2CC2)cc1OC1CCCC1
InChIInChI=1S/C23H25NO4/c1-27-20-13-12-16(14-21(20)28-17-6-2-3-7-17)24-22(25)18-8-4-5-9-19(18)23(24,26)15-10-11-15/h4-5,8-9,12-15,17,26H,2-3,6-7,10-11H2,1H3
InChIKeyWDSJTFBWQBRPTP-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.23
Rot. Bonds5

About 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one

2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one (PubChem CID 54425395) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one
PubChem CID54425395
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one
SMILESCOc1ccc(N2C(=O)c3ccccc3C2(O)C2CC2)cc1OC1CCCC1
InChIInChI=1S/C23H25NO4/c1-27-20-13-12-16(14-21(20)28-17-6-2-3-7-17)24-22(25)18-8-4-5-9-19(18)23(24,26)15-10-11-15/h4-5,8-9,12-15,17,26H,2-3,6-7,10-11H2,1H3
InChIKeyWDSJTFBWQBRPTP-UHFFFAOYSA-N
XLogP4.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one
CID 54352938
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 57249849
ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate
CID 57138770
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
6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 67669438
2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 142665259
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
CID 67693091
2-(3-cyclopentyloxy-4-methoxyphenyl)-7-hydroxy-3-methyl-3H-isoindol-1-one
CID 57045932
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dioxoinden-2-yl]butanoic acid
CID 67628934

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one?
The IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one (CID 54425395) is 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one.
What is the SMILES notation for 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one?
The canonical SMILES for 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one is COc1ccc(N2C(=O)c3ccccc3C2(O)C2CC2)cc1OC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one?
The InChIKey is WDSJTFBWQBRPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-27-20-13-12-16(14-21(20)28-17-6-2-3-7-17)24-22(25)18-8-4-5-9-19(18)23(24,26)15-10-11-15/h4-5,8-9,12-15,17,26H,2-3,6-7,10-11H2,1H3.
What are the key properties of 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one?
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one has a molecular weight of 379.46 g/mol, XLogP of 4.23, 5 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)-3-cyclopropyl-3-hydroxyisoindol-1-one is sourced from PubChem (CID 54425395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).