7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole

C13H17NO — CID 59674725

IUPAC7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole
SMILESCC(C)(C)OCc1cccc2cc[nH]c12
InChIInChI=1S/C13H17NO/c1-13(2,3)15-9-11-6-4-5-10-7-8-14-12(10)11/h4-8,14H,9H2,1-3H3
InChIKeyOBLHAKYVZXGVOH-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.48
Rot. Bonds2

About 7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole

7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole (PubChem CID 59674725) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole.

Molecular Properties

Compound Name7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole
PubChem CID59674725
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole
SMILESCC(C)(C)OCc1cccc2cc[nH]c12
InChIInChI=1S/C13H17NO/c1-13(2,3)15-9-11-6-4-5-10-7-8-14-12(10)11/h4-8,14H,9H2,1-3H3
InChIKeyOBLHAKYVZXGVOH-UHFFFAOYSA-N
XLogP3.48
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole?
The IUPAC name of 7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole (CID 59674725) is 7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole.
What is the SMILES notation for 7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole?
The canonical SMILES for 7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole is CC(C)(C)OCc1cccc2cc[nH]c12.
What is the InChIKey of 7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole?
The InChIKey is OBLHAKYVZXGVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,3)15-9-11-6-4-5-10-7-8-14-12(10)11/h4-8,14H,9H2,1-3H3.
What are the key properties of 7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole?
7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole has a molecular weight of 203.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole is sourced from PubChem (CID 59674725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).