1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol

C15H21NO2 — CID 117197151

IUPAC1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol
SMILESCOc1cccc2cc(CC(C)O)n(C(C)C)c12
InChIInChI=1S/C15H21NO2/c1-10(2)16-13(8-11(3)17)9-12-6-5-7-14(18-4)15(12)16/h5-7,9-11,17H,8H2,1-4H3
InChIKeyALHVCVLZFXDPSL-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.15
Rot. Bonds4

About 1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol

1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol (PubChem CID 117197151) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol
PubChem CID117197151
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol
SMILESCOc1cccc2cc(CC(C)O)n(C(C)C)c12
InChIInChI=1S/C15H21NO2/c1-10(2)16-13(8-11(3)17)9-12-6-5-7-14(18-4)15(12)16/h5-7,9-11,17H,8H2,1-4H3
InChIKeyALHVCVLZFXDPSL-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 115006203
2-ethyl-7-methoxy-1-methylindole
CID 84662166
1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117196538
2-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197178
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
1-(2-ethoxy-6-methoxyphenyl)propan-2-ol
CID 117300607
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid
CID 117197220
1-(1-bromo-8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ol
CID 117254526
2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid
CID 67540357
3-(2-aminopropyl)-8-methoxy-1-methylquinolin-2-one
CID 84632285

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol?
The IUPAC name of 1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol (CID 117197151) is 1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol?
The canonical SMILES for 1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol is COc1cccc2cc(CC(C)O)n(C(C)C)c12.
What is the InChIKey of 1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol?
The InChIKey is ALHVCVLZFXDPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)16-13(8-11(3)17)9-12-6-5-7-14(18-4)15(12)16/h5-7,9-11,17H,8H2,1-4H3.
What are the key properties of 1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol?
1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol has a molecular weight of 247.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol is sourced from PubChem (CID 117197151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).