3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid

C14H17NO3 — CID 83946348

IUPAC3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid
SMILESCc1ccc2c(CCCO)cn(C)c2c1C(=O)O
InChIInChI=1S/C14H17NO3/c1-9-5-6-11-10(4-3-7-16)8-15(2)13(11)12(9)14(17)18/h5-6,8,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyDDRWIDVQJNZNAJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.11
Rot. Bonds4

About 3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid

3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid (PubChem CID 83946348) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid
PubChem CID83946348
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid
SMILESCc1ccc2c(CCCO)cn(C)c2c1C(=O)O
InChIInChI=1S/C14H17NO3/c1-9-5-6-11-10(4-3-7-16)8-15(2)13(11)12(9)14(17)18/h5-6,8,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyDDRWIDVQJNZNAJ-UHFFFAOYSA-N
XLogP2.11
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid
CID 83946411
1,6-dimethyl-3-(2-piperazin-1-ylethyl)indole-7-carboxylic acid
CID 83948015
1-(3-hydroxypropyl)-3,6-dimethylindole-7-carboxylic acid
CID 83946407
1,3-bis(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
CID 83964764
1,3-dibutyl-6-methylindole-7-carboxylic acid
CID 83946379
1-(2-hydroxyethyl)-3-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
CID 83964701
1-(3-hydroxypropyl)-2,3,6-trimethylindole-7-carboxylic acid
CID 83964760
3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid
CID 83946328
3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
CID 83964766
1-ethyl-3,6-dimethylindole-7-carboxylic acid
CID 83946322
1-butyl-2,3,6-trimethylindole-7-carboxylic acid
CID 83964750
3-(6-methoxy-1-methylindol-3-yl)propan-1-ol
CID 82278635

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid?
The IUPAC name of 3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid (CID 83946348) is 3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid?
The canonical SMILES for 3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid is Cc1ccc2c(CCCO)cn(C)c2c1C(=O)O.
What is the InChIKey of 3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid?
The InChIKey is DDRWIDVQJNZNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-5-6-11-10(4-3-7-16)8-15(2)13(11)12(9)14(17)18/h5-6,8,16H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid?
3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid is sourced from PubChem (CID 83946348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).