2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol

C12H15NO2 — CID 50923036

IUPAC2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
SMILESCOc1ccc2c(CCO)c(C)[nH]c2c1
InChIInChI=1S/C12H15NO2/c1-8-10(5-6-14)11-4-3-9(15-2)7-12(11)13-8/h3-4,7,13-14H,5-6H2,1-2H3
InChIKeySBJZZNRTOWXDHQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.02
Rot. Bonds3

About 2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol

2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol (PubChem CID 50923036) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
PubChem CID50923036
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
SMILESCOc1ccc2c(CCO)c(C)[nH]c2c1
InChIInChI=1S/C12H15NO2/c1-8-10(5-6-14)11-4-3-9(15-2)7-12(11)13-8/h3-4,7,13-14H,5-6H2,1-2H3
InChIKeySBJZZNRTOWXDHQ-UHFFFAOYSA-N
XLogP2.02
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(6-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 70238324
2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84636641
2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine
CID 84637405
2-(5-amino-2-methyl-1H-indol-3-yl)ethanol
CID 91482632
2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84637571
3-(hydroxymethyl)-7-methoxy-9H-carbazol-2-ol
CID 134815955
(6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430942
6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione
CID 790258
(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol
CID 137258618
3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 14020208
1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
CID 12005981
(4-fluorophenyl)-(6-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 154187614

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol (CID 50923036) is 2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol is COc1ccc2c(CCO)c(C)[nH]c2c1.
What is the InChIKey of 2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol?
The InChIKey is SBJZZNRTOWXDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-10(5-6-14)11-4-3-9(15-2)7-12(11)13-8/h3-4,7,13-14H,5-6H2,1-2H3.
What are the key properties of 2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol?
2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol has a molecular weight of 205.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 50923036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).