3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one

C25H20N2O2 — CID 135859914

IUPAC3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1c(O)n(CCCc2ccccc2)c2ccccc12
InChIInChI=1S/C25H20N2O2/c28-24-22(18-12-4-6-14-20(18)26-24)23-19-13-5-7-15-21(19)27(25(23)29)16-8-11-17-9-2-1-3-10-17/h1-7,9-10,12-15,29H,8,11,16H2
InChIKeyIENIHMFRVKVSAK-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.34
Rot. Bonds5

About 3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one

3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one (PubChem CID 135859914) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one
PubChem CID135859914
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1c(O)n(CCCc2ccccc2)c2ccccc12
InChIInChI=1S/C25H20N2O2/c28-24-22(18-12-4-6-14-20(18)26-24)23-19-13-5-7-15-21(19)27(25(23)29)16-8-11-17-9-2-1-3-10-17/h1-7,9-10,12-15,29H,8,11,16H2
InChIKeyIENIHMFRVKVSAK-UHFFFAOYSA-N
XLogP3.34
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one?
The IUPAC name of 3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one (CID 135859914) is 3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one.
What is the SMILES notation for 3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one?
The canonical SMILES for 3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one is O=C1N=c2ccccc2=C1c1c(O)n(CCCc2ccccc2)c2ccccc12.
What is the InChIKey of 3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one?
The InChIKey is IENIHMFRVKVSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-24-22(18-12-4-6-14-20(18)26-24)23-19-13-5-7-15-21(19)27(25(23)29)16-8-11-17-9-2-1-3-10-17/h1-7,9-10,12-15,29H,8,11,16H2.
What are the key properties of 3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one?
3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one has a molecular weight of 380.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-1-(3-phenylpropyl)indol-3-yl]indol-2-one is sourced from PubChem (CID 135859914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).