2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol

C13H17NO — CID 117291884

IUPAC2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol
SMILESCc1[nH]c2c(C(C)(C)O)cccc2c1C
InChIInChI=1S/C13H17NO/c1-8-9(2)14-12-10(8)6-5-7-11(12)13(3,4)15/h5-7,14-15H,1-4H3
InChIKeyVXRGVLNIVBJENQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.01
Rot. Bonds1

About 2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol

2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol (PubChem CID 117291884) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol
PubChem CID117291884
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol
SMILESCc1[nH]c2c(C(C)(C)O)cccc2c1C
InChIInChI=1S/C13H17NO/c1-8-9(2)14-12-10(8)6-5-7-11(12)13(3,4)15/h5-7,14-15H,1-4H3
InChIKeyVXRGVLNIVBJENQ-UHFFFAOYSA-N
XLogP3.01
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol?
The IUPAC name of 2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol (CID 117291884) is 2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol.
What is the SMILES notation for 2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol?
The canonical SMILES for 2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol is Cc1[nH]c2c(C(C)(C)O)cccc2c1C.
What is the InChIKey of 2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol?
The InChIKey is VXRGVLNIVBJENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8-9(2)14-12-10(8)6-5-7-11(12)13(3,4)15/h5-7,14-15H,1-4H3.
What are the key properties of 2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol?
2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol has a molecular weight of 203.28 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol is sourced from PubChem (CID 117291884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).