bis(3-hydroxy-1H-indol-2-yl)methanone

C17H12N2O3 — CID 151180929

IUPACbis(3-hydroxy-1H-indol-2-yl)methanone
SMILESO=C(c1[nH]c2ccccc2c1O)c1[nH]c2ccccc2c1O
InChIInChI=1S/C17H12N2O3/c20-15-9-5-1-3-7-11(9)18-13(15)17(22)14-16(21)10-6-2-4-8-12(10)19-14/h1-8,18-21H
InChIKeyNEGUTRZRGRYUCO-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.29
Rot. Bonds2

About bis(3-hydroxy-1H-indol-2-yl)methanone

bis(3-hydroxy-1H-indol-2-yl)methanone (PubChem CID 151180929) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is bis(3-hydroxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Namebis(3-hydroxy-1H-indol-2-yl)methanone
PubChem CID151180929
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Namebis(3-hydroxy-1H-indol-2-yl)methanone
SMILESO=C(c1[nH]c2ccccc2c1O)c1[nH]c2ccccc2c1O
InChIInChI=1S/C17H12N2O3/c20-15-9-5-1-3-7-11(9)18-13(15)17(22)14-16(21)10-6-2-4-8-12(10)19-14/h1-8,18-21H
InChIKeyNEGUTRZRGRYUCO-UHFFFAOYSA-N
XLogP3.29
TPSA89.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze bis(3-hydroxy-1H-indol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 131863122
CID 131863122
1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone
CID 12511317
3-bromo-1H-indole-2-carboxylate
CID 2325687
9H-carbazole;carbonic acid
CID 67577328
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
CID 135568407
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate
CID 153402560
2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
CID 96619133
2-carbamoyl-1H-indole-3-carboxylic acid
CID 83814167
9H-carbazole
CID 66668984

Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxy-1H-indol-2-yl)methanone?
The IUPAC name of bis(3-hydroxy-1H-indol-2-yl)methanone (CID 151180929) is bis(3-hydroxy-1H-indol-2-yl)methanone.
What is the SMILES notation for bis(3-hydroxy-1H-indol-2-yl)methanone?
The canonical SMILES for bis(3-hydroxy-1H-indol-2-yl)methanone is O=C(c1[nH]c2ccccc2c1O)c1[nH]c2ccccc2c1O.
What is the InChIKey of bis(3-hydroxy-1H-indol-2-yl)methanone?
The InChIKey is NEGUTRZRGRYUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-15-9-5-1-3-7-11(9)18-13(15)17(22)14-16(21)10-6-2-4-8-12(10)19-14/h1-8,18-21H.
What are the key properties of bis(3-hydroxy-1H-indol-2-yl)methanone?
bis(3-hydroxy-1H-indol-2-yl)methanone has a molecular weight of 292.29 g/mol, XLogP of 3.29, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 151180929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).