2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid

C15H19NO3 — CID 83944844

IUPAC2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid
SMILESCc1cc(C)c2c(CCCO)cn(CC(=O)O)c2c1
InChIInChI=1S/C15H19NO3/c1-10-6-11(2)15-12(4-3-5-17)8-16(9-14(18)19)13(15)7-10/h6-8,17H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyPICXOCLFPIKTSX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.27
Rot. Bonds5

About 2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid

2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid (PubChem CID 83944844) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid
PubChem CID83944844
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid
SMILESCc1cc(C)c2c(CCCO)cn(CC(=O)O)c2c1
InChIInChI=1S/C15H19NO3/c1-10-6-11(2)15-12(4-3-5-17)8-16(9-14(18)19)13(15)7-10/h6-8,17H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyPICXOCLFPIKTSX-UHFFFAOYSA-N
XLogP2.27
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-hydroxypropyl)-5,6-dimethoxyindol-1-yl]acetic acid
CID 83944581
2-[5-bromo-3-(3-hydroxypropyl)indol-1-yl]acetic acid
CID 83946733
1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948919
3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
CID 83948930
3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol
CID 83944989
2-[5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetic acid
CID 83947404
2-[4,7-dimethyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetic acid
CID 83947579
3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol
CID 83945302
4-(4,6-dimethyl-1H-indol-3-yl)butanoic acid
CID 82390563
3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol
CID 83944932
4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid
CID 82500354
2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid
CID 66487510

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid (CID 83944844) is 2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid is Cc1cc(C)c2c(CCCO)cn(CC(=O)O)c2c1.
What is the InChIKey of 2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid?
The InChIKey is PICXOCLFPIKTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-6-11(2)15-12(4-3-5-17)8-16(9-14(18)19)13(15)7-10/h6-8,17H,3-5,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid?
2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid is sourced from PubChem (CID 83944844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).