(4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone

C17H11FN2O2 — CID 11558401

IUPAC(4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(O)ccc2[nH]1)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C17H11FN2O2/c18-12-2-1-3-14-11(12)8-16(20-14)17(22)15-7-9-6-10(21)4-5-13(9)19-15/h1-8,19-21H
InChIKeyPSNYTMURLBIIQI-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.72
Rot. Bonds2

About (4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone

(4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone (PubChem CID 11558401) has the molecular formula C17H11FN2O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is (4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone
PubChem CID11558401
Molecular FormulaC17H11FN2O2
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name(4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(O)ccc2[nH]1)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C17H11FN2O2/c18-12-2-1-3-14-11(12)8-16(20-14)17(22)15-7-9-6-10(21)4-5-13(9)19-15/h1-8,19-21H
InChIKeyPSNYTMURLBIIQI-UHFFFAOYSA-N
XLogP3.72
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone?
The IUPAC name of (4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone (CID 11558401) is (4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone?
The canonical SMILES for (4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone is O=C(c1cc2cc(O)ccc2[nH]1)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of (4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone?
The InChIKey is PSNYTMURLBIIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2/c18-12-2-1-3-14-11(12)8-16(20-14)17(22)15-7-9-6-10(21)4-5-13(9)19-15/h1-8,19-21H.
What are the key properties of (4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone?
(4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone has a molecular weight of 294.29 g/mol, XLogP of 3.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 11558401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).