3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one

C20H21NO2 — CID 142181890

IUPAC3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one
SMILESCc1ccc2c(c1)C(O)N(c1ccc3c(c1)C(C)CCC3)C2=O
InChIInChI=1S/C20H21NO2/c1-12-6-9-16-18(10-12)20(23)21(19(16)22)15-8-7-14-5-3-4-13(2)17(14)11-15/h6-11,13,20,23H,3-5H2,1-2H3
InChIKeyROLYTDBWKDPMOI-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.09
Rot. Bonds1

About 3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one

3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one (PubChem CID 142181890) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one
PubChem CID142181890
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one
SMILESCc1ccc2c(c1)C(O)N(c1ccc3c(c1)C(C)CCC3)C2=O
InChIInChI=1S/C20H21NO2/c1-12-6-9-16-18(10-12)20(23)21(19(16)22)15-8-7-14-5-3-4-13(2)17(14)11-15/h6-11,13,20,23H,3-5H2,1-2H3
InChIKeyROLYTDBWKDPMOI-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one (CID 142181890) is 3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one is Cc1ccc2c(c1)C(O)N(c1ccc3c(c1)C(C)CCC3)C2=O.
What is the InChIKey of 3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one?
The InChIKey is ROLYTDBWKDPMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-12-6-9-16-18(10-12)20(23)21(19(16)22)15-8-7-14-5-3-4-13(2)17(14)11-15/h6-11,13,20,23H,3-5H2,1-2H3.
What are the key properties of 3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one?
3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one has a molecular weight of 307.39 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-2-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3H-isoindol-1-one is sourced from PubChem (CID 142181890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).