3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol

C13H17NO — CID 170857441

IUPAC3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol
SMILESCc1ccc2[nH]c(CCCO)c(C)c2c1
InChIInChI=1S/C13H17NO/c1-9-5-6-13-11(8-9)10(2)12(14-13)4-3-7-15/h5-6,8,14-15H,3-4,7H2,1-2H3
InChIKeyCOTVKBODXIXETN-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.71
Rot. Bonds3

About 3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol

3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol (PubChem CID 170857441) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol
PubChem CID170857441
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol
SMILESCc1ccc2[nH]c(CCCO)c(C)c2c1
InChIInChI=1S/C13H17NO/c1-9-5-6-13-11(8-9)10(2)12(14-13)4-3-7-15/h5-6,8,14-15H,3-4,7H2,1-2H3
InChIKeyCOTVKBODXIXETN-UHFFFAOYSA-N
XLogP2.71
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.71
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 3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol?
The IUPAC name of 3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol (CID 170857441) is 3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol?
The canonical SMILES for 3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol is Cc1ccc2[nH]c(CCCO)c(C)c2c1.
What is the InChIKey of 3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol?
The InChIKey is COTVKBODXIXETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-5-6-13-11(8-9)10(2)12(14-13)4-3-7-15/h5-6,8,14-15H,3-4,7H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol?
3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol has a molecular weight of 203.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol is sourced from PubChem (CID 170857441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).