4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol

C16H23NO2 — CID 131719999

IUPAC4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol
SMILESCOc1ccccc1C1(O)CCC(C)C2CNCC21
InChIInChI=1S/C16H23NO2/c1-11-7-8-16(18,14-10-17-9-12(11)14)13-5-3-4-6-15(13)19-2/h3-6,11-12,14,17-18H,7-10H2,1-2H3
InChIKeyQGUNHKHDNZXNOP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.15
Rot. Bonds2

About 4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol

4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol (PubChem CID 131719999) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol
PubChem CID131719999
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol
SMILESCOc1ccccc1C1(O)CCC(C)C2CNCC21
InChIInChI=1S/C16H23NO2/c1-11-7-8-16(18,14-10-17-9-12(11)14)13-5-3-4-6-15(13)19-2/h3-6,11-12,14,17-18H,7-10H2,1-2H3
InChIKeyQGUNHKHDNZXNOP-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-ol
CID 19376827
(7aS)-4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-ol;hydrochloride
CID 67803841
(3aS,7aR)-4-(2-methoxyphenyl)-6-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol
CID 57207521
4-(2-methoxyphenyl)-1,2,3,3a,5,6,7,7a-octahydroisoindole-4,5-diol
CID 67714228
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
3-(2-methoxyphenyl)-2-methylthiolan-3-ol
CID 83823248
2-methoxy-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 106873696
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 18974540
1-(2-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79680080
6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83817894
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 18974539
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol?
The IUPAC name of 4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol (CID 131719999) is 4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol.
What is the SMILES notation for 4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol?
The canonical SMILES for 4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol is COc1ccccc1C1(O)CCC(C)C2CNCC21.
What is the InChIKey of 4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol?
The InChIKey is QGUNHKHDNZXNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-7-8-16(18,14-10-17-9-12(11)14)13-5-3-4-6-15(13)19-2/h3-6,11-12,14,17-18H,7-10H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol?
4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol has a molecular weight of 261.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-7-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol is sourced from PubChem (CID 131719999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).