(1,3-dimethylindol-2-yl)methanol

C11H13NO — CID 84618332

IUPAC(1,3-dimethylindol-2-yl)methanol
SMILESCc1c(CO)n(C)c2ccccc12
InChIInChI=1S/C11H13NO/c1-8-9-5-3-4-6-10(9)12(2)11(8)7-13/h3-6,13H,7H2,1-2H3
InChIKeyMIFQUTIXDQAXNC-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.98
Rot. Bonds1

About (1,3-dimethylindol-2-yl)methanol

(1,3-dimethylindol-2-yl)methanol (PubChem CID 84618332) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (1,3-dimethylindol-2-yl)methanol.

Molecular Properties

Compound Name(1,3-dimethylindol-2-yl)methanol
PubChem CID84618332
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(1,3-dimethylindol-2-yl)methanol
SMILESCc1c(CO)n(C)c2ccccc12
InChIInChI=1S/C11H13NO/c1-8-9-5-3-4-6-10(9)12(2)11(8)7-13/h3-6,13H,7H2,1-2H3
InChIKeyMIFQUTIXDQAXNC-UHFFFAOYSA-N
XLogP1.98
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylindol-2-yl)methanol?
The IUPAC name of (1,3-dimethylindol-2-yl)methanol (CID 84618332) is (1,3-dimethylindol-2-yl)methanol.
What is the SMILES notation for (1,3-dimethylindol-2-yl)methanol?
The canonical SMILES for (1,3-dimethylindol-2-yl)methanol is Cc1c(CO)n(C)c2ccccc12.
What is the InChIKey of (1,3-dimethylindol-2-yl)methanol?
The InChIKey is MIFQUTIXDQAXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-9-5-3-4-6-10(9)12(2)11(8)7-13/h3-6,13H,7H2,1-2H3.
What are the key properties of (1,3-dimethylindol-2-yl)methanol?
(1,3-dimethylindol-2-yl)methanol has a molecular weight of 175.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylindol-2-yl)methanol is sourced from PubChem (CID 84618332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).