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

C21H15NO3 — CID 44814954

IUPAC(5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C21H15NO3/c23-16-8-11-19-15(12-16)13-20(22-19)21(24)14-6-9-18(10-7-14)25-17-4-2-1-3-5-17/h1-13,22-23H
InChIKeyYGIBFLBBITTXMT-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.90
Rot. Bonds4

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

(5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone (PubChem CID 44814954) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone
PubChem CID44814954
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name(5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C21H15NO3/c23-16-8-11-19-15(12-16)13-20(22-19)21(24)14-6-9-18(10-7-14)25-17-4-2-1-3-5-17/h1-13,22-23H
InChIKeyYGIBFLBBITTXMT-UHFFFAOYSA-N
XLogP4.90
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone?
The IUPAC name of (5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone (CID 44814954) is (5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone.
What is the SMILES notation for (5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone?
The canonical SMILES for (5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)c1cc2cc(O)ccc2[nH]1.
What is the InChIKey of (5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone?
The InChIKey is YGIBFLBBITTXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-16-8-11-19-15(12-16)13-20(22-19)21(24)14-6-9-18(10-7-14)25-17-4-2-1-3-5-17/h1-13,22-23H.
What are the key properties of (5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone?
(5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone has a molecular weight of 329.36 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1H-indol-2-yl)-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 44814954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).