6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one

C21H17NO3 — CID 118723039

IUPAC6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one
SMILESO=C1CCCC2=C1C(c1c[nH]c3ccccc13)c1ccc(O)cc1O2
InChIInChI=1S/C21H17NO3/c23-12-8-9-14-19(10-12)25-18-7-3-6-17(24)21(18)20(14)15-11-22-16-5-2-1-4-13(15)16/h1-2,4-5,8-11,20,22-23H,3,6-7H2
InChIKeyYUTSBWCOZUIMHX-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.40
Rot. Bonds1

About 6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one

6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one (PubChem CID 118723039) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one.

Molecular Properties

Compound Name6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one
PubChem CID118723039
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one
SMILESO=C1CCCC2=C1C(c1c[nH]c3ccccc13)c1ccc(O)cc1O2
InChIInChI=1S/C21H17NO3/c23-12-8-9-14-19(10-12)25-18-7-3-6-17(24)21(18)20(14)15-11-22-16-5-2-1-4-13(15)16/h1-2,4-5,8-11,20,22-23H,3,6-7H2
InChIKeyYUTSBWCOZUIMHX-UHFFFAOYSA-N
XLogP4.40
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one?
The IUPAC name of 6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one (CID 118723039) is 6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one.
What is the SMILES notation for 6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one?
The canonical SMILES for 6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one is O=C1CCCC2=C1C(c1c[nH]c3ccccc13)c1ccc(O)cc1O2.
What is the InChIKey of 6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one?
The InChIKey is YUTSBWCOZUIMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-12-8-9-14-19(10-12)25-18-7-3-6-17(24)21(18)20(14)15-11-22-16-5-2-1-4-13(15)16/h1-2,4-5,8-11,20,22-23H,3,6-7H2.
What are the key properties of 6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one?
6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one has a molecular weight of 331.37 g/mol, XLogP of 4.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-(1H-indol-3-yl)-2,3,4,9-tetrahydroxanthen-1-one is sourced from PubChem (CID 118723039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).