1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol

C13H17NO2 — CID 117194596

IUPAC1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol
SMILESCOc1cccc2[nH]c(CC(C)(C)O)cc12
InChIInChI=1S/C13H17NO2/c1-13(2,15)8-9-7-10-11(14-9)5-4-6-12(10)16-3/h4-7,14-15H,8H2,1-3H3
InChIKeyDRMIUIGSVQBPSQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.49
Rot. Bonds3

About 1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol

1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol (PubChem CID 117194596) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol
PubChem CID117194596
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol
SMILESCOc1cccc2[nH]c(CC(C)(C)O)cc12
InChIInChI=1S/C13H17NO2/c1-13(2,15)8-9-7-10-11(14-9)5-4-6-12(10)16-3/h4-7,14-15H,8H2,1-3H3
InChIKeyDRMIUIGSVQBPSQ-UHFFFAOYSA-N
XLogP2.49
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-1H-indol-2-yl)acetic acid
CID 28806414
N-[2-(4-methoxy-1H-indol-2-yl)ethyl]acetamide
CID 10513751
2-fluoro-4-methoxy-1H-indole
CID 174907936
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
N-hydroperoxy-4-methoxy-1H-indol-2-amine
CID 142093209
1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol
CID 117195228
ethyl 2-(4-methoxy-1H-indol-2-yl)-2-oxoacetate
CID 115072498
4-methoxy-2-(4-methoxyphenyl)-1H-indole
CID 159214029
4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole
CID 159600634
4-[5-(4-methoxy-1H-indol-2-yl)-2,5-dimethylhexan-2-yl]-2-methyl-1H-benzimidazole
CID 138627516
1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838
4-cyclopropyloxy-2-ethyl-1H-indole
CID 167080162

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol (CID 117194596) is 1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol is COc1cccc2[nH]c(CC(C)(C)O)cc12.
What is the InChIKey of 1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol?
The InChIKey is DRMIUIGSVQBPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,15)8-9-7-10-11(14-9)5-4-6-12(10)16-3/h4-7,14-15H,8H2,1-3H3.
What are the key properties of 1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol?
1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol has a molecular weight of 219.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117194596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).