2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol

C21H22N2O2 — CID 152819543

IUPAC2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol
SMILESCCCc1c(C(C)c2c[nH]c3ccc(O)cc23)[nH]c2ccc(O)cc12
InChIInChI=1S/C21H22N2O2/c1-3-4-15-16-9-14(25)6-8-20(16)23-21(15)12(2)18-11-22-19-7-5-13(24)10-17(18)19/h5-12,22-25H,3-4H2,1-2H3
InChIKeySTGGQEKTGYPPOQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.16
Rot. Bonds4

About 2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol

2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol (PubChem CID 152819543) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol.

Molecular Properties

Compound Name2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol
PubChem CID152819543
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol
SMILESCCCc1c(C(C)c2c[nH]c3ccc(O)cc23)[nH]c2ccc(O)cc12
InChIInChI=1S/C21H22N2O2/c1-3-4-15-16-9-14(25)6-8-20(16)23-21(15)12(2)18-11-22-19-7-5-13(24)10-17(18)19/h5-12,22-25H,3-4H2,1-2H3
InChIKeySTGGQEKTGYPPOQ-UHFFFAOYSA-N
XLogP5.16
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157
3-propyl-1H-indol-5-ol
CID 15366338
3-[2-amino-1-(ethylamino)ethyl]-1H-indol-5-ol
CID 141212916
3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol
CID 155565501
2-(5-hydroxy-1H-indol-3-yl)propanedioic acid
CID 91074600
2-(5-hydroxy-1H-indol-3-yl)ethyl-tripropylazanium;iodide;hydrate
CID 170646984
2-[1-[5-[3-(hydroxymethyl)-2-(1H-indol-3-ylmethyl)-1H-indol-5-yl]-1H-indol-3-yl]ethyl]-1H-indole-3-carbaldehyde
CID 146186277
3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol
CID 84737251
2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium
CID 21299537
N-[2-hydroxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methoxyacetamide
CID 123840111
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
CID 168972349
CID 168972349

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol?
The IUPAC name of 2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol (CID 152819543) is 2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol.
What is the SMILES notation for 2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol?
The canonical SMILES for 2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol is CCCc1c(C(C)c2c[nH]c3ccc(O)cc23)[nH]c2ccc(O)cc12.
What is the InChIKey of 2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol?
The InChIKey is STGGQEKTGYPPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-4-15-16-9-14(25)6-8-20(16)23-21(15)12(2)18-11-22-19-7-5-13(24)10-17(18)19/h5-12,22-25H,3-4H2,1-2H3.
What are the key properties of 2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol?
2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol has a molecular weight of 334.42 g/mol, XLogP of 5.16, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol is sourced from PubChem (CID 152819543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).