5-methoxy-2,3-dihydro-1H-indol-6-ol

C9H11NO2 — CID 15547921

IUPAC5-methoxy-2,3-dihydro-1H-indol-6-ol
SMILESCOc1cc2c(cc1O)NCC2
InChIInChI=1S/C9H11NO2/c1-12-9-4-6-2-3-10-7(6)5-8(9)11/h4-5,10-11H,2-3H2,1H3
InChIKeyWJNJOMLKWQNVTH-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.37
Rot. Bonds1

About 5-methoxy-2,3-dihydro-1H-indol-6-ol

5-methoxy-2,3-dihydro-1H-indol-6-ol (PubChem CID 15547921) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1H-indol-6-ol.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1H-indol-6-ol
PubChem CID15547921
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name5-methoxy-2,3-dihydro-1H-indol-6-ol
SMILESCOc1cc2c(cc1O)NCC2
InChIInChI=1S/C9H11NO2/c1-12-9-4-6-2-3-10-7(6)5-8(9)11/h4-5,10-11H,2-3H2,1H3
InChIKeyWJNJOMLKWQNVTH-UHFFFAOYSA-N
XLogP1.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dihydro-1H-indol-6-ol?
The IUPAC name of 5-methoxy-2,3-dihydro-1H-indol-6-ol (CID 15547921) is 5-methoxy-2,3-dihydro-1H-indol-6-ol.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1H-indol-6-ol?
The canonical SMILES for 5-methoxy-2,3-dihydro-1H-indol-6-ol is COc1cc2c(cc1O)NCC2.
What is the InChIKey of 5-methoxy-2,3-dihydro-1H-indol-6-ol?
The InChIKey is WJNJOMLKWQNVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-12-9-4-6-2-3-10-7(6)5-8(9)11/h4-5,10-11H,2-3H2,1H3.
What are the key properties of 5-methoxy-2,3-dihydro-1H-indol-6-ol?
5-methoxy-2,3-dihydro-1H-indol-6-ol has a molecular weight of 165.19 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dihydro-1H-indol-6-ol is sourced from PubChem (CID 15547921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).