5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid

C16H13NO3 — CID 652127

IUPAC5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid
SMILESCc1c(C(=O)O)c2cc(O)ccc2n1-c1ccccc1
InChIInChI=1S/C16H13NO3/c1-10-15(16(19)20)13-9-12(18)7-8-14(13)17(10)11-5-3-2-4-6-11/h2-9,18H,1H3,(H,19,20)
InChIKeyDFIVRYDUQGHCLZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.34
Rot. Bonds2

About 5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid

5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid (PubChem CID 652127) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid
PubChem CID652127
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid
SMILESCc1c(C(=O)O)c2cc(O)ccc2n1-c1ccccc1
InChIInChI=1S/C16H13NO3/c1-10-15(16(19)20)13-9-12(18)7-8-14(13)17(10)11-5-3-2-4-6-11/h2-9,18H,1H3,(H,19,20)
InChIKeyDFIVRYDUQGHCLZ-UHFFFAOYSA-N
XLogP3.34
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mecarbinate
CID 616236
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
CID 159665
1-(5-Hydroxy-2-methyl-1-phenyl-1H-indol-3-yl)ethanone
CID 781247
Iodoindomethacin
CID 447835
1-Benzoyl-5-methoxy-2-methylindole-3-acetic acid
CID 4177957
Ethyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 628089
1-{1-[2-(4-chlorophenyl)ethyl]-5-hydroxy-2-methyl-1H-indol-3-yl}ethanone
CID 672656
1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid
CID 1082708
3-acetyl-1-(4-ethoxyphenyl)-2-methyl-1H-indol-5-yl acetate
CID 1150669
Cinmetacin
CID 6433761
2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid
CID 767146
1-(1-(3-Chlorophenyl)-5-hydroxy-2-methyl-1H-indol-3-yl)ethanone
CID 708055

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid?
The IUPAC name of 5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid (CID 652127) is 5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid is Cc1c(C(=O)O)c2cc(O)ccc2n1-c1ccccc1.
What is the InChIKey of 5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid?
The InChIKey is DFIVRYDUQGHCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-15(16(19)20)13-9-12(18)7-8-14(13)17(10)11-5-3-2-4-6-11/h2-9,18H,1H3,(H,19,20).
What are the key properties of 5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid?
5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-1-phenylindole-3-carboxylic acid is sourced from PubChem (CID 652127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).