2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid

C19H16N2O3 — CID 91397704

IUPAC2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid
SMILESCc1cccc2cn(-c3ccc4ccn(CC(=O)O)c4c3)c(O)c12
InChIInChI=1S/C19H16N2O3/c1-12-3-2-4-14-10-21(19(24)18(12)14)15-6-5-13-7-8-20(11-17(22)23)16(13)9-15/h2-10,24H,11H2,1H3,(H,22,23)
InChIKeyZJSAMYHDHGJDAK-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.68
Rot. Bonds3

About 2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid

2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid (PubChem CID 91397704) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid
PubChem CID91397704
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid
SMILESCc1cccc2cn(-c3ccc4ccn(CC(=O)O)c4c3)c(O)c12
InChIInChI=1S/C19H16N2O3/c1-12-3-2-4-14-10-21(19(24)18(12)14)15-6-5-13-7-8-20(11-17(22)23)16(13)9-15/h2-10,24H,11H2,1H3,(H,22,23)
InChIKeyZJSAMYHDHGJDAK-UHFFFAOYSA-N
XLogP3.68
TPSA67.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(carboxymethyl)indole-6-carboxylic acid
CID 83948256
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
2-(6-chloro-5-methylindol-1-yl)acetic acid
CID 83944399
ethane;2-indol-1-ylacetic acid;methanesulfonamide
CID 90844595
6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol
CID 90912330
3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one
CID 62025224
2-(6-fluoroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62023950
2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62024325
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
2-(5,6-diethoxyindol-1-yl)acetic acid
CID 83944709
tert-butyl 2-[6-(4-chloro-3-oxo-1H-isoindol-2-yl)indol-1-yl]acetate
CID 59473732
2-[4-(2,6-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetic acid
CID 95916364

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid?
The IUPAC name of 2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid (CID 91397704) is 2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid is Cc1cccc2cn(-c3ccc4ccn(CC(=O)O)c4c3)c(O)c12.
What is the InChIKey of 2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid?
The InChIKey is ZJSAMYHDHGJDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12-3-2-4-14-10-21(19(24)18(12)14)15-6-5-13-7-8-20(11-17(22)23)16(13)9-15/h2-10,24H,11H2,1H3,(H,22,23).
What are the key properties of 2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid?
2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid has a molecular weight of 320.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid is sourced from PubChem (CID 91397704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).