2-methyl-2-(1-methylindol-5-yl)propan-1-ol

C13H17NO — CID 117291936

IUPAC2-methyl-2-(1-methylindol-5-yl)propan-1-ol
SMILESCn1ccc2cc(C(C)(C)CO)ccc21
InChIInChI=1S/C13H17NO/c1-13(2,9-15)11-4-5-12-10(8-11)6-7-14(12)3/h4-8,15H,9H2,1-3H3
InChIKeyULCMKJWAHNMOBV-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.45
Rot. Bonds2

About 2-methyl-2-(1-methylindol-5-yl)propan-1-ol

2-methyl-2-(1-methylindol-5-yl)propan-1-ol (PubChem CID 117291936) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-methyl-2-(1-methylindol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1-methylindol-5-yl)propan-1-ol
PubChem CID117291936
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-methyl-2-(1-methylindol-5-yl)propan-1-ol
SMILESCn1ccc2cc(C(C)(C)CO)ccc21
InChIInChI=1S/C13H17NO/c1-13(2,9-15)11-4-5-12-10(8-11)6-7-14(12)3/h4-8,15H,9H2,1-3H3
InChIKeyULCMKJWAHNMOBV-UHFFFAOYSA-N
XLogP2.45
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylindol-5-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(1-methylindol-5-yl)propan-1-ol (CID 117291936) is 2-methyl-2-(1-methylindol-5-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(1-methylindol-5-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(1-methylindol-5-yl)propan-1-ol is Cn1ccc2cc(C(C)(C)CO)ccc21.
What is the InChIKey of 2-methyl-2-(1-methylindol-5-yl)propan-1-ol?
The InChIKey is ULCMKJWAHNMOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,9-15)11-4-5-12-10(8-11)6-7-14(12)3/h4-8,15H,9H2,1-3H3.
What are the key properties of 2-methyl-2-(1-methylindol-5-yl)propan-1-ol?
2-methyl-2-(1-methylindol-5-yl)propan-1-ol has a molecular weight of 203.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylindol-5-yl)propan-1-ol is sourced from PubChem (CID 117291936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).