3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid

C18H14N2O3 — CID 59364271

IUPAC3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid
SMILESCc1[nH]c2ccc(O)cc2c1-c1c[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C18H14N2O3/c1-9-17(13-7-11(21)3-5-16(13)20-9)14-8-19-15-4-2-10(18(22)23)6-12(14)15/h2-8,19-21H,1H3,(H,22,23)
InChIKeyKPAGWEXTMFAHJR-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.03
Rot. Bonds2

About 3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid

3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid (PubChem CID 59364271) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid
PubChem CID59364271
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid
SMILESCc1[nH]c2ccc(O)cc2c1-c1c[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C18H14N2O3/c1-9-17(13-7-11(21)3-5-16(13)20-9)14-8-19-15-4-2-10(18(22)23)6-12(14)15/h2-8,19-21H,1H3,(H,22,23)
InChIKeyKPAGWEXTMFAHJR-UHFFFAOYSA-N
XLogP4.03
TPSA89.11 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid?
The IUPAC name of 3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid (CID 59364271) is 3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid is Cc1[nH]c2ccc(O)cc2c1-c1c[nH]c2ccc(C(=O)O)cc12.
What is the InChIKey of 3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid?
The InChIKey is KPAGWEXTMFAHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-9-17(13-7-11(21)3-5-16(13)20-9)14-8-19-15-4-2-10(18(22)23)6-12(14)15/h2-8,19-21H,1H3,(H,22,23).
What are the key properties of 3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid?
3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 4.03, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 59364271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).