3'-hydroxy-1'-(propan-2-yl)-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one

C19H18N2O2 — CID 3642928

IUPAC3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one
SMILESCC(C)N1C2=CC=CC=C2C(C1=O)(C3=CNC4=CC=CC=C43)O
InChIInChI=1S/C19H18N2O2/c1-12(2)21-17-10-6-4-8-14(17)19(23,18(21)22)15-11-20-16-9-5-3-7-13(15)16/h3-12,20,23H,1-2H3
InChIKeyGYQXTTPCZDSQIZ-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.80
Rot. Bonds2

About 3'-hydroxy-1'-(propan-2-yl)-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one

3'-hydroxy-1'-(propan-2-yl)-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one (PubChem CID 3642928) has the molecular formula C19H18N2O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one.

Molecular Properties

Compound Name3'-hydroxy-1'-(propan-2-yl)-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one
PubChem CID3642928
Molecular FormulaC19H18N2O2
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one
SMILESCC(C)N1C2=CC=CC=C2C(C1=O)(C3=CNC4=CC=CC=C43)O
InChIInChI=1S/C19H18N2O2/c1-12(2)21-17-10-6-4-8-14(17)19(23,18(21)22)15-11-20-16-9-5-3-7-13(15)16/h3-12,20,23H,1-2H3
InChIKeyGYQXTTPCZDSQIZ-UHFFFAOYSA-N
XLogP2.80
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity480

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-hydroxy-1'-(propan-2-yl)-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one?
The IUPAC name of 3'-hydroxy-1'-(propan-2-yl)-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one (CID 3642928) is 3-hydroxy-3-(1H-indol-3-yl)-1-propan-2-ylindol-2-one.
What is the SMILES notation for 3'-hydroxy-1'-(propan-2-yl)-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one?
The canonical SMILES for 3'-hydroxy-1'-(propan-2-yl)-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one is CC(C)N1C2=CC=CC=C2C(C1=O)(C3=CNC4=CC=CC=C43)O.
What is the InChIKey of 3'-hydroxy-1'-(propan-2-yl)-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one?
The InChIKey is GYQXTTPCZDSQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12(2)21-17-10-6-4-8-14(17)19(23,18(21)22)15-11-20-16-9-5-3-7-13(15)16/h3-12,20,23H,1-2H3.
What are the key properties of 3'-hydroxy-1'-(propan-2-yl)-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one?
3'-hydroxy-1'-(propan-2-yl)-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one has a molecular weight of 306.40 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-hydroxy-1'-(propan-2-yl)-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one is sourced from PubChem (CID 3642928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).