2,5-bis(1H-indol-2-yl)phenol

C22H16N2O — CID 67739555

IUPAC2,5-bis(1H-indol-2-yl)phenol
SMILESOc1cc(-c2cc3ccccc3[nH]2)ccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C22H16N2O/c25-22-13-16(20-11-14-5-1-3-7-18(14)23-20)9-10-17(22)21-12-15-6-2-4-8-19(15)24-21/h1-13,23-25H
InChIKeyZCIIWGYABGAERP-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.69
Rot. Bonds2

About 2,5-bis(1H-indol-2-yl)phenol

2,5-bis(1H-indol-2-yl)phenol (PubChem CID 67739555) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 2,5-bis(1H-indol-2-yl)phenol.

Molecular Properties

Compound Name2,5-bis(1H-indol-2-yl)phenol
PubChem CID67739555
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name2,5-bis(1H-indol-2-yl)phenol
SMILESOc1cc(-c2cc3ccccc3[nH]2)ccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C22H16N2O/c25-22-13-16(20-11-14-5-1-3-7-18(14)23-20)9-10-17(22)21-12-15-6-2-4-8-19(15)24-21/h1-13,23-25H
InChIKeyZCIIWGYABGAERP-UHFFFAOYSA-N
XLogP5.69
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1H-indol-2-yl)phenol?
The IUPAC name of 2,5-bis(1H-indol-2-yl)phenol (CID 67739555) is 2,5-bis(1H-indol-2-yl)phenol.
What is the SMILES notation for 2,5-bis(1H-indol-2-yl)phenol?
The canonical SMILES for 2,5-bis(1H-indol-2-yl)phenol is Oc1cc(-c2cc3ccccc3[nH]2)ccc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 2,5-bis(1H-indol-2-yl)phenol?
The InChIKey is ZCIIWGYABGAERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c25-22-13-16(20-11-14-5-1-3-7-18(14)23-20)9-10-17(22)21-12-15-6-2-4-8-19(15)24-21/h1-13,23-25H.
What are the key properties of 2,5-bis(1H-indol-2-yl)phenol?
2,5-bis(1H-indol-2-yl)phenol has a molecular weight of 324.38 g/mol, XLogP of 5.69, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1H-indol-2-yl)phenol is sourced from PubChem (CID 67739555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).