(3,7-dimethyl-1,2-dihydroindol-3-yl)methanol

C11H15NO — CID 91988086

IUPAC(3,7-dimethyl-1,2-dihydroindol-3-yl)methanol
SMILESCc1cccc2c1NCC2(C)CO
InChIInChI=1S/C11H15NO/c1-8-4-3-5-9-10(8)12-6-11(9,2)7-13/h3-5,12-13H,6-7H2,1-2H3
InChIKeyLRUBXHVHXICFJW-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.67
Rot. Bonds1

About (3,7-dimethyl-1,2-dihydroindol-3-yl)methanol

(3,7-dimethyl-1,2-dihydroindol-3-yl)methanol (PubChem CID 91988086) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3,7-dimethyl-1,2-dihydroindol-3-yl)methanol.

Molecular Properties

Compound Name(3,7-dimethyl-1,2-dihydroindol-3-yl)methanol
PubChem CID91988086
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3,7-dimethyl-1,2-dihydroindol-3-yl)methanol
SMILESCc1cccc2c1NCC2(C)CO
InChIInChI=1S/C11H15NO/c1-8-4-3-5-9-10(8)12-6-11(9,2)7-13/h3-5,12-13H,6-7H2,1-2H3
InChIKeyLRUBXHVHXICFJW-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-1,2-dihydroindol-3-yl)methanol?
The IUPAC name of (3,7-dimethyl-1,2-dihydroindol-3-yl)methanol (CID 91988086) is (3,7-dimethyl-1,2-dihydroindol-3-yl)methanol.
What is the SMILES notation for (3,7-dimethyl-1,2-dihydroindol-3-yl)methanol?
The canonical SMILES for (3,7-dimethyl-1,2-dihydroindol-3-yl)methanol is Cc1cccc2c1NCC2(C)CO.
What is the InChIKey of (3,7-dimethyl-1,2-dihydroindol-3-yl)methanol?
The InChIKey is LRUBXHVHXICFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-4-3-5-9-10(8)12-6-11(9,2)7-13/h3-5,12-13H,6-7H2,1-2H3.
What are the key properties of (3,7-dimethyl-1,2-dihydroindol-3-yl)methanol?
(3,7-dimethyl-1,2-dihydroindol-3-yl)methanol has a molecular weight of 177.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-1,2-dihydroindol-3-yl)methanol is sourced from PubChem (CID 91988086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).