4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol

C14H21NO2 — CID 57082400

IUPAC4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol
SMILESCOCCCC(O)c1ccc2c(c1)NC(C)C2
InChIInChI=1S/C14H21NO2/c1-10-8-11-5-6-12(9-13(11)15-10)14(16)4-3-7-17-2/h5-6,9-10,14-16H,3-4,7-8H2,1-2H3
InChIKeyPHGUDUIOKZLMBE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.50
Rot. Bonds5

About 4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol

4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol (PubChem CID 57082400) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol
PubChem CID57082400
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol
SMILESCOCCCC(O)c1ccc2c(c1)NC(C)C2
InChIInChI=1S/C14H21NO2/c1-10-8-11-5-6-12(9-13(11)15-10)14(16)4-3-7-17-2/h5-6,9-10,14-16H,3-4,7-8H2,1-2H3
InChIKeyPHGUDUIOKZLMBE-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol?
The IUPAC name of 4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol (CID 57082400) is 4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol.
What is the SMILES notation for 4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol?
The canonical SMILES for 4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol is COCCCC(O)c1ccc2c(c1)NC(C)C2.
What is the InChIKey of 4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol?
The InChIKey is PHGUDUIOKZLMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-8-11-5-6-12(9-13(11)15-10)14(16)4-3-7-17-2/h5-6,9-10,14-16H,3-4,7-8H2,1-2H3.
What are the key properties of 4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol?
4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)butan-1-ol is sourced from PubChem (CID 57082400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).