2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol

C12H23NO2 — CID 121204301

IUPAC2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol
SMILESCOCC12CCCCC1CN(CCO)C2
InChIInChI=1S/C12H23NO2/c1-15-10-12-5-3-2-4-11(12)8-13(9-12)6-7-14/h11,14H,2-10H2,1H3
InChIKeyYCPMDYJOCXTYSM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.12
Rot. Bonds4

About 2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol

2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol (PubChem CID 121204301) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol.

Molecular Properties

Compound Name2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol
PubChem CID121204301
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol
SMILESCOCC12CCCCC1CN(CCO)C2
InChIInChI=1S/C12H23NO2/c1-15-10-12-5-3-2-4-11(12)8-13(9-12)6-7-14/h11,14H,2-10H2,1H3
InChIKeyYCPMDYJOCXTYSM-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol with MolForge

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Related Compounds

[7a-(Hydroxymethyl)-2-methyl-1,3,4,5,6,7-hexahydroisoindol-3a-yl]methanol
CID 60006987
2-Methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-1,3-diol
CID 89722301
2-(1,3-Dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)ethyl-(2-hydroxyethyl)-dimethylazanium
CID 123915113
2-Ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-ol
CID 144483613
[2-Iodo-7a-(2-methoxyethyl)-1,3,4,5,6,7-hexahydroisoindol-3a-yl]methanol
CID 155141612
2-Ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-1,3-diol
CID 163687086
[1-[[3-(Methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol
CID 64581790
(3S)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]pyrrolidin-3-ol
CID 86817888
(3-Cyclohexyl-1-methylpyrrolidin-3-yl)methanol
CID 117543345
2-(4-(Methoxymethyl)-2-azaspiro[4.4]nonan-2-yl)ethan-1-ol
CID 121202827
2-(4-(Hydroxymethyl)-2-azaspiro[4.5]decan-2-yl)ethan-1-ol
CID 121202855
2-(4-(Methoxymethyl)-2-azaspiro[4.5]decan-2-yl)ethan-1-ol
CID 121202871

Frequently Asked Questions

What is the IUPAC name of 2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol?
The IUPAC name of 2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol (CID 121204301) is 2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol.
What is the SMILES notation for 2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol?
The canonical SMILES for 2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol is COCC12CCCCC1CN(CCO)C2.
What is the InChIKey of 2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol?
The InChIKey is YCPMDYJOCXTYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-15-10-12-5-3-2-4-11(12)8-13(9-12)6-7-14/h11,14H,2-10H2,1H3.
What are the key properties of 2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol?
2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol has a molecular weight of 213.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]ethanol is sourced from PubChem (CID 121204301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).