(2S)-3-indol-1-yl-2-methylpropan-1-ol

C12H15NO — CID 139469635

IUPAC(2S)-3-indol-1-yl-2-methylpropan-1-ol
SMILESC[C@H](CO)Cn1ccc2ccccc21
InChIInChI=1S/C12H15NO/c1-10(9-14)8-13-7-6-11-4-2-3-5-12(11)13/h2-7,10,14H,8-9H2,1H3/t10-/m0/s1
InChIKeyNVVAOBRZULABAG-JTQLQIEISA-N
MW189.26 g/mol
LogP2.27
Rot. Bonds3

About (2S)-3-indol-1-yl-2-methylpropan-1-ol

(2S)-3-indol-1-yl-2-methylpropan-1-ol (PubChem CID 139469635) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2S)-3-indol-1-yl-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-indol-1-yl-2-methylpropan-1-ol
PubChem CID139469635
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2S)-3-indol-1-yl-2-methylpropan-1-ol
SMILESC[C@H](CO)Cn1ccc2ccccc21
InChIInChI=1S/C12H15NO/c1-10(9-14)8-13-7-6-11-4-2-3-5-12(11)13/h2-7,10,14H,8-9H2,1H3/t10-/m0/s1
InChIKeyNVVAOBRZULABAG-JTQLQIEISA-N
XLogP2.27
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-indol-1-ylpropan-2-amine
CID 20806570
(2S,3S)-1,4-di(indol-1-yl)butane-2,3-diol
CID 131853579
3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
CID 102912449
3-indol-1-yl-2-methylpropanamide
CID 63811423
1-indol-1-yl-N,N-dimethylpropan-2-amine
CID 154694251
2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)azanium
CID 4250136
1-amino-3-indol-1-ylpropan-2-ol
CID 66799372
(2R)-1-amino-3-indol-1-ylpropan-2-ol
CID 59762071
2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol
CID 102916132
2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol
CID 102916325
1-(3,6-dimethylheptyl)indole
CID 57308424
sodium 3-indol-1-yl-2-(indol-1-ylmethyl)propanoate
CID 100988913

Frequently Asked Questions

What is the IUPAC name of (2S)-3-indol-1-yl-2-methylpropan-1-ol?
The IUPAC name of (2S)-3-indol-1-yl-2-methylpropan-1-ol (CID 139469635) is (2S)-3-indol-1-yl-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3-indol-1-yl-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3-indol-1-yl-2-methylpropan-1-ol is C[C@H](CO)Cn1ccc2ccccc21.
What is the InChIKey of (2S)-3-indol-1-yl-2-methylpropan-1-ol?
The InChIKey is NVVAOBRZULABAG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO/c1-10(9-14)8-13-7-6-11-4-2-3-5-12(11)13/h2-7,10,14H,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-3-indol-1-yl-2-methylpropan-1-ol?
(2S)-3-indol-1-yl-2-methylpropan-1-ol has a molecular weight of 189.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-indol-1-yl-2-methylpropan-1-ol is sourced from PubChem (CID 139469635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).