1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol

C15H21NO2 — CID 117174039

IUPAC1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
SMILESCC(C)OCc1cc2c(O)cccc2n1C(C)C
InChIInChI=1S/C15H21NO2/c1-10(2)16-12(9-18-11(3)4)8-13-14(16)6-5-7-15(13)17/h5-8,10-11,17H,9H2,1-4H3
InChIKeyLRDSTLLPWZXIFD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.85
Rot. Bonds4

About 1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol

1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol (PubChem CID 117174039) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol.

Molecular Properties

Compound Name1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
PubChem CID117174039
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
SMILESCC(C)OCc1cc2c(O)cccc2n1C(C)C
InChIInChI=1S/C15H21NO2/c1-10(2)16-12(9-18-11(3)4)8-13-14(16)6-5-7-15(13)17/h5-8,10-11,17H,9H2,1-4H3
InChIKeyLRDSTLLPWZXIFD-UHFFFAOYSA-N
XLogP3.85
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine
CID 117173654
2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol
CID 117194641
O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194362
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
4-[(4-amino-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117173954
3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid
CID 117120620
4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole
CID 117174060
2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
CID 117194628
1-propan-2-yl-2-(propan-2-yloxymethyl)indole-5-carboxylic acid
CID 117177475
2-(2-aminopropan-2-yl)-1-propan-2-ylindol-4-ol
CID 117120582
1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)indole
CID 117173999
2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173920

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol?
The IUPAC name of 1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol (CID 117174039) is 1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol.
What is the SMILES notation for 1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol?
The canonical SMILES for 1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol is CC(C)OCc1cc2c(O)cccc2n1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol?
The InChIKey is LRDSTLLPWZXIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)16-12(9-18-11(3)4)8-13-14(16)6-5-7-15(13)17/h5-8,10-11,17H,9H2,1-4H3.
What are the key properties of 1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol?
1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol has a molecular weight of 247.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol is sourced from PubChem (CID 117174039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).