1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol

C12H15NO3 — CID 170819227

IUPAC1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol
SMILESCc1[nH]c2ccccc2c1C(O)C(O)CO
InChIInChI=1S/C12H15NO3/c1-7-11(12(16)10(15)6-14)8-4-2-3-5-9(8)13-7/h2-5,10,12-16H,6H2,1H3
InChIKeyFMXPVORUOJALMN-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.86
Rot. Bonds3

About 1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol

1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol (PubChem CID 170819227) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol
PubChem CID170819227
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol
SMILESCc1[nH]c2ccccc2c1C(O)C(O)CO
InChIInChI=1S/C12H15NO3/c1-7-11(12(16)10(15)6-14)8-4-2-3-5-9(8)13-7/h2-5,10,12-16H,6H2,1H3
InChIKeyFMXPVORUOJALMN-UHFFFAOYSA-N
XLogP0.86
TPSA76.48 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol
CID 102355251
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
9H-carbazole;propane-1,1-diol
CID 19846299
2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole
CID 2849002
2-(cyclopropylamino)-1-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 82294420
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 116907669
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
(2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
CID 64868312
(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol
CID 696635
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol (CID 170819227) is 1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol is Cc1[nH]c2ccccc2c1C(O)C(O)CO.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol?
The InChIKey is FMXPVORUOJALMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7-11(12(16)10(15)6-14)8-4-2-3-5-9(8)13-7/h2-5,10,12-16H,6H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol?
1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol has a molecular weight of 221.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol is sourced from PubChem (CID 170819227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).