1-(1,2,3-trimethylindol-6-yl)ethanol

C13H17NO — CID 117291889

IUPAC1-(1,2,3-trimethylindol-6-yl)ethanol
SMILESCc1c(C)n(C)c2cc(C(C)O)ccc12
InChIInChI=1S/C13H17NO/c1-8-9(2)14(4)13-7-11(10(3)15)5-6-12(8)13/h5-7,10,15H,1-4H3
InChIKeyDDPYWNAKYPMTKV-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.85
Rot. Bonds1

About 1-(1,2,3-trimethylindol-6-yl)ethanol

1-(1,2,3-trimethylindol-6-yl)ethanol (PubChem CID 117291889) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1,2,3-trimethylindol-6-yl)ethanol.

Molecular Properties

Compound Name1-(1,2,3-trimethylindol-6-yl)ethanol
PubChem CID117291889
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(1,2,3-trimethylindol-6-yl)ethanol
SMILESCc1c(C)n(C)c2cc(C(C)O)ccc12
InChIInChI=1S/C13H17NO/c1-8-9(2)14(4)13-7-11(10(3)15)5-6-12(8)13/h5-7,10,15H,1-4H3
InChIKeyDDPYWNAKYPMTKV-UHFFFAOYSA-N
XLogP2.85
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(9-methylcarbazol-2-yl)ethanol
CID 67359382
3-amino-3-(1,2,3-trimethylindol-6-yl)propanoic acid
CID 117368315
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
2-methyl-3-(1,2,3-trimethylindol-6-yl)propanoic acid
CID 117365476
1-(1,2,3-trimethylindol-6-yl)propan-2-amine
CID 117308494
6-(isocyanomethyl)-1,2,3-trimethylindole
CID 83485141
1-(3-chloro-1-methylindazol-6-yl)ethanol
CID 84678090
2-(1,2,3-trimethylindol-6-yl)ethanamine
CID 82397040
(1,2-dimethyl-3-propan-2-ylindol-5-yl)methanediol
CID 166734633
ethane;1,2,3-trimethylindole
CID 91590745
(1R)-1-[9-butyl-6-[(1R)-1-hydroxyethyl]carbazol-3-yl]ethanol
CID 95909380
(1S)-1-[9-butyl-6-[(1R)-1-hydroxyethyl]carbazol-3-yl]ethanol
CID 95909381

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3-trimethylindol-6-yl)ethanol?
The IUPAC name of 1-(1,2,3-trimethylindol-6-yl)ethanol (CID 117291889) is 1-(1,2,3-trimethylindol-6-yl)ethanol.
What is the SMILES notation for 1-(1,2,3-trimethylindol-6-yl)ethanol?
The canonical SMILES for 1-(1,2,3-trimethylindol-6-yl)ethanol is Cc1c(C)n(C)c2cc(C(C)O)ccc12.
What is the InChIKey of 1-(1,2,3-trimethylindol-6-yl)ethanol?
The InChIKey is DDPYWNAKYPMTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8-9(2)14(4)13-7-11(10(3)15)5-6-12(8)13/h5-7,10,15H,1-4H3.
What are the key properties of 1-(1,2,3-trimethylindol-6-yl)ethanol?
1-(1,2,3-trimethylindol-6-yl)ethanol has a molecular weight of 203.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3-trimethylindol-6-yl)ethanol is sourced from PubChem (CID 117291889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).