(2S)-1-(2-methylindol-1-yl)propan-2-ol

C12H15NO — CID 177480957

IUPAC(2S)-1-(2-methylindol-1-yl)propan-2-ol
SMILESCc1cc2ccccc2n1C[C@H](C)O
InChIInChI=1S/C12H15NO/c1-9-7-11-5-3-4-6-12(11)13(9)8-10(2)14/h3-7,10,14H,8H2,1-2H3/t10-/m0/s1
InChIKeyOFMKRQDIPVYFPD-JTQLQIEISA-N
MW189.26 g/mol
LogP2.33
Rot. Bonds2

About (2S)-1-(2-methylindol-1-yl)propan-2-ol

(2S)-1-(2-methylindol-1-yl)propan-2-ol (PubChem CID 177480957) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2S)-1-(2-methylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-methylindol-1-yl)propan-2-ol
PubChem CID177480957
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2S)-1-(2-methylindol-1-yl)propan-2-ol
SMILESCc1cc2ccccc2n1C[C@H](C)O
InChIInChI=1S/C12H15NO/c1-9-7-11-5-3-4-6-12(11)13(9)8-10(2)14/h3-7,10,14H,8H2,1-2H3/t10-/m0/s1
InChIKeyOFMKRQDIPVYFPD-JTQLQIEISA-N
XLogP2.33
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-methylindol-1-yl)butan-2-ol
CID 67714768
1-(2-ethylbutyl)-2-methylindole
CID 82925203
1-(2-methylindol-1-yl)propan-2-yl hydrogen sulfate
CID 88819965
3-methyl-1-(2-methylindol-1-yl)butan-2-one
CID 12795650
1-(2-methylpyrrolo[2,3-b]pyridin-1-yl)propan-2-ol
CID 117223855
2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde
CID 174496386
3,3,3-trifluoro-2-[(2-methylindol-1-yl)methyl]propanoic acid
CID 113259082
propan-2-yl 2-(2-methylindol-1-yl)acetate
CID 54940863
N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
CID 107299993
1-[2-(4-bromoanilino)indol-1-yl]propan-2-ol
CID 67125122
sodium 2-(2-methylindol-1-yl)acetate
CID 18735252
1-but-2-enyl-2-methylindole
CID 77019089

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylindol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(2-methylindol-1-yl)propan-2-ol (CID 177480957) is (2S)-1-(2-methylindol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-methylindol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(2-methylindol-1-yl)propan-2-ol is Cc1cc2ccccc2n1C[C@H](C)O.
What is the InChIKey of (2S)-1-(2-methylindol-1-yl)propan-2-ol?
The InChIKey is OFMKRQDIPVYFPD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO/c1-9-7-11-5-3-4-6-12(11)13(9)8-10(2)14/h3-7,10,14H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-(2-methylindol-1-yl)propan-2-ol?
(2S)-1-(2-methylindol-1-yl)propan-2-ol has a molecular weight of 189.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylindol-1-yl)propan-2-ol is sourced from PubChem (CID 177480957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).