5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid

C12H13NO4 — CID 139271113

IUPAC5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid
SMILESCc1c(OCCO)ccc2[nH]cc(C(=O)O)c12
InChIInChI=1S/C12H13NO4/c1-7-10(17-5-4-14)3-2-9-11(7)8(6-13-9)12(15)16/h2-3,6,13-14H,4-5H2,1H3,(H,15,16)
InChIKeyKEYSYMATNPVJMA-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.55
Rot. Bonds4

About 5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid

5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid (PubChem CID 139271113) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid
PubChem CID139271113
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid
SMILESCc1c(OCCO)ccc2[nH]cc(C(=O)O)c12
InChIInChI=1S/C12H13NO4/c1-7-10(17-5-4-14)3-2-9-11(7)8(6-13-9)12(15)16/h2-3,6,13-14H,4-5H2,1H3,(H,15,16)
InChIKeyKEYSYMATNPVJMA-UHFFFAOYSA-N
XLogP1.55
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
3-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one
CID 68886642
1-(4,5-dimethyl-1H-indol-3-yl)ethanone
CID 82405420
2-[(4-amino-1H-indol-3-yl)oxy]ethanol
CID 69378299
2,3-bis(2-hydroxyethoxy)terephthalic acid
CID 18003835
4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53412873
1-azabicyclo[2.2.1]heptan-4-ylmethyl 5-methoxy-4-methyl-1H-indole-3-carboxylate
CID 129236250
4-bromo-5-hydroxy-1H-indole-3-carboxylic acid
CID 84708642
1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 96610998
3-hexoxy-2-methylbenzoic acid
CID 82826739
4-amino-5-bromo-1H-indole-3-carboxylic acid
CID 83671342
1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
CID 161294319

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid (CID 139271113) is 5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid is Cc1c(OCCO)ccc2[nH]cc(C(=O)O)c12.
What is the InChIKey of 5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid?
The InChIKey is KEYSYMATNPVJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-7-10(17-5-4-14)3-2-9-11(7)8(6-13-9)12(15)16/h2-3,6,13-14H,4-5H2,1H3,(H,15,16).
What are the key properties of 5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid?
5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 139271113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).