bis(5-hydroxy-1H-indol-2-yl)methanone

C17H12N2O3 — CID 11601743

IUPACbis(5-hydroxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(O)ccc2[nH]1)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H
InChIKeyNIMIWWQLOGNYHD-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.29
Rot. Bonds2

About bis(5-hydroxy-1H-indol-2-yl)methanone

bis(5-hydroxy-1H-indol-2-yl)methanone (PubChem CID 11601743) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is bis(5-hydroxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Namebis(5-hydroxy-1H-indol-2-yl)methanone
PubChem CID11601743
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Namebis(5-hydroxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(O)ccc2[nH]1)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H
InChIKeyNIMIWWQLOGNYHD-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

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Frequently Asked Questions

What is the IUPAC name of bis(5-hydroxy-1H-indol-2-yl)methanone?
The IUPAC name of bis(5-hydroxy-1H-indol-2-yl)methanone (CID 11601743) is bis(5-hydroxy-1H-indol-2-yl)methanone.
What is the SMILES notation for bis(5-hydroxy-1H-indol-2-yl)methanone?
The canonical SMILES for bis(5-hydroxy-1H-indol-2-yl)methanone is O=C(c1cc2cc(O)ccc2[nH]1)c1cc2cc(O)ccc2[nH]1.
What is the InChIKey of bis(5-hydroxy-1H-indol-2-yl)methanone?
The InChIKey is NIMIWWQLOGNYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H.
What are the key properties of bis(5-hydroxy-1H-indol-2-yl)methanone?
bis(5-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(5-hydroxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 11601743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).