(2S,3S)-3-(1H-indol-3-yl)butan-2-ol

C12H15NO — CID 130705083

IUPAC(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
SMILESC[C@H](O)[C@@H](C)c1c[nH]c2ccccc12
InChIInChI=1S/C12H15NO/c1-8(9(2)14)11-7-13-12-6-4-3-5-10(11)12/h3-9,13-14H,1-2H3/t8-,9+/m1/s1
InChIKeyBAYRZSDJTJCCFH-BDAKNGLRSA-N
MW189.26 g/mol
LogP2.65
Rot. Bonds2

About (2S,3S)-3-(1H-indol-3-yl)butan-2-ol

(2S,3S)-3-(1H-indol-3-yl)butan-2-ol (PubChem CID 130705083) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2S,3S)-3-(1H-indol-3-yl)butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
PubChem CID130705083
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
SMILESC[C@H](O)[C@@H](C)c1c[nH]c2ccccc12
InChIInChI=1S/C12H15NO/c1-8(9(2)14)11-7-13-12-6-4-3-5-10(11)12/h3-9,13-14H,1-2H3/t8-,9+/m1/s1
InChIKeyBAYRZSDJTJCCFH-BDAKNGLRSA-N
XLogP2.65
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-1H-indole
CID 12534824
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
CID 10631907
ethyl (2R,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
CID 14735622
2-amino-3-(1H-indol-3-yl)butanal
CID 174494789
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium
CID 7308487
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912
2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 116848099
3-[(E)-5-methylhex-3-en-2-yl]-1H-indole
CID 102097534
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(1H-indol-3-yl)butan-2-ol?
The IUPAC name of (2S,3S)-3-(1H-indol-3-yl)butan-2-ol (CID 130705083) is (2S,3S)-3-(1H-indol-3-yl)butan-2-ol.
What is the SMILES notation for (2S,3S)-3-(1H-indol-3-yl)butan-2-ol?
The canonical SMILES for (2S,3S)-3-(1H-indol-3-yl)butan-2-ol is C[C@H](O)[C@@H](C)c1c[nH]c2ccccc12.
What is the InChIKey of (2S,3S)-3-(1H-indol-3-yl)butan-2-ol?
The InChIKey is BAYRZSDJTJCCFH-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H15NO/c1-8(9(2)14)11-7-13-12-6-4-3-5-10(11)12/h3-9,13-14H,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2S,3S)-3-(1H-indol-3-yl)butan-2-ol?
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol has a molecular weight of 189.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(1H-indol-3-yl)butan-2-ol is sourced from PubChem (CID 130705083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).