(2,6-dimethyl-1,3-dihydroindol-2-yl)methanol

C11H15NO — CID 117193569

IUPAC(2,6-dimethyl-1,3-dihydroindol-2-yl)methanol
SMILESCc1ccc2c(c1)NC(C)(CO)C2
InChIInChI=1S/C11H15NO/c1-8-3-4-9-6-11(2,7-13)12-10(9)5-8/h3-5,12-13H,6-7H2,1-2H3
InChIKeyZVANHGAYOYMINM-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.71
Rot. Bonds1

About (2,6-dimethyl-1,3-dihydroindol-2-yl)methanol

(2,6-dimethyl-1,3-dihydroindol-2-yl)methanol (PubChem CID 117193569) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2,6-dimethyl-1,3-dihydroindol-2-yl)methanol.

Molecular Properties

Compound Name(2,6-dimethyl-1,3-dihydroindol-2-yl)methanol
PubChem CID117193569
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2,6-dimethyl-1,3-dihydroindol-2-yl)methanol
SMILESCc1ccc2c(c1)NC(C)(CO)C2
InChIInChI=1S/C11H15NO/c1-8-3-4-9-6-11(2,7-13)12-10(9)5-8/h3-5,12-13H,6-7H2,1-2H3
InChIKeyZVANHGAYOYMINM-UHFFFAOYSA-N
XLogP1.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-1,3-dihydroindol-2-yl)methanol?
The IUPAC name of (2,6-dimethyl-1,3-dihydroindol-2-yl)methanol (CID 117193569) is (2,6-dimethyl-1,3-dihydroindol-2-yl)methanol.
What is the SMILES notation for (2,6-dimethyl-1,3-dihydroindol-2-yl)methanol?
The canonical SMILES for (2,6-dimethyl-1,3-dihydroindol-2-yl)methanol is Cc1ccc2c(c1)NC(C)(CO)C2.
What is the InChIKey of (2,6-dimethyl-1,3-dihydroindol-2-yl)methanol?
The InChIKey is ZVANHGAYOYMINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-3-4-9-6-11(2,7-13)12-10(9)5-8/h3-5,12-13H,6-7H2,1-2H3.
What are the key properties of (2,6-dimethyl-1,3-dihydroindol-2-yl)methanol?
(2,6-dimethyl-1,3-dihydroindol-2-yl)methanol has a molecular weight of 177.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-1,3-dihydroindol-2-yl)methanol is sourced from PubChem (CID 117193569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).