2-methyl-1-(1-methylindol-7-yl)propan-2-ol

C13H17NO — CID 115115003

IUPAC2-methyl-1-(1-methylindol-7-yl)propan-2-ol
SMILESCn1ccc2cccc(CC(C)(C)O)c21
InChIInChI=1S/C13H17NO/c1-13(2,15)9-11-6-4-5-10-7-8-14(3)12(10)11/h4-8,15H,9H2,1-3H3
InChIKeySKDSHXYTOPXLEJ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.49
Rot. Bonds2

About 2-methyl-1-(1-methylindol-7-yl)propan-2-ol

2-methyl-1-(1-methylindol-7-yl)propan-2-ol (PubChem CID 115115003) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-methyl-1-(1-methylindol-7-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1-methylindol-7-yl)propan-2-ol
PubChem CID115115003
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-methyl-1-(1-methylindol-7-yl)propan-2-ol
SMILESCn1ccc2cccc(CC(C)(C)O)c21
InChIInChI=1S/C13H17NO/c1-13(2,15)9-11-6-4-5-10-7-8-14(3)12(10)11/h4-8,15H,9H2,1-3H3
InChIKeySKDSHXYTOPXLEJ-UHFFFAOYSA-N
XLogP2.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylindol-7-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(1-methylindol-7-yl)propan-2-ol (CID 115115003) is 2-methyl-1-(1-methylindol-7-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(1-methylindol-7-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(1-methylindol-7-yl)propan-2-ol is Cn1ccc2cccc(CC(C)(C)O)c21.
What is the InChIKey of 2-methyl-1-(1-methylindol-7-yl)propan-2-ol?
The InChIKey is SKDSHXYTOPXLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,15)9-11-6-4-5-10-7-8-14(3)12(10)11/h4-8,15H,9H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methylindol-7-yl)propan-2-ol?
2-methyl-1-(1-methylindol-7-yl)propan-2-ol has a molecular weight of 203.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylindol-7-yl)propan-2-ol is sourced from PubChem (CID 115115003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).