(2R)-2,4-bis(1H-indol-3-yl)butan-1-ol

C20H20N2O — CID 3246676

IUPAC(2R)-2,4-bis(1H-indol-3-yl)butan-1-ol
SMILESOC[C@H](CCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O/c23-13-15(18-12-22-20-8-4-2-6-17(18)20)10-9-14-11-21-19-7-3-1-5-16(14)19/h1-8,11-12,15,21-23H,9-10,13H2/t15-/m0/s1
InChIKeyWGBUYPUFZUPNQF-HNNXBMFYSA-N
MW304.39 g/mol
LogP4.36
Rot. Bonds5

About (2R)-2,4-bis(1H-indol-3-yl)butan-1-ol

(2R)-2,4-bis(1H-indol-3-yl)butan-1-ol (PubChem CID 3246676) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-2,4-bis(1H-indol-3-yl)butan-1-ol.

Molecular Properties

Compound Name(2R)-2,4-bis(1H-indol-3-yl)butan-1-ol
PubChem CID3246676
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(2R)-2,4-bis(1H-indol-3-yl)butan-1-ol
SMILESOC[C@H](CCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O/c23-13-15(18-12-22-20-8-4-2-6-17(18)20)10-9-14-11-21-19-7-3-1-5-16(14)19/h1-8,11-12,15,21-23H,9-10,13H2/t15-/m0/s1
InChIKeyWGBUYPUFZUPNQF-HNNXBMFYSA-N
XLogP4.36
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-bis(1H-indol-3-yl)butan-1-ol?
The IUPAC name of (2R)-2,4-bis(1H-indol-3-yl)butan-1-ol (CID 3246676) is (2R)-2,4-bis(1H-indol-3-yl)butan-1-ol.
What is the SMILES notation for (2R)-2,4-bis(1H-indol-3-yl)butan-1-ol?
The canonical SMILES for (2R)-2,4-bis(1H-indol-3-yl)butan-1-ol is OC[C@H](CCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2,4-bis(1H-indol-3-yl)butan-1-ol?
The InChIKey is WGBUYPUFZUPNQF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-13-15(18-12-22-20-8-4-2-6-17(18)20)10-9-14-11-21-19-7-3-1-5-16(14)19/h1-8,11-12,15,21-23H,9-10,13H2/t15-/m0/s1.
What are the key properties of (2R)-2,4-bis(1H-indol-3-yl)butan-1-ol?
(2R)-2,4-bis(1H-indol-3-yl)butan-1-ol has a molecular weight of 304.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-bis(1H-indol-3-yl)butan-1-ol is sourced from PubChem (CID 3246676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).