[5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone

C23H19NO4 — CID 44815448

IUPAC[5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cc2cc(O)ccc2n1CCO
InChIInChI=1S/C23H19NO4/c25-13-12-24-21-11-8-18(26)14-17(21)15-22(24)23(27)16-6-9-20(10-7-16)28-19-4-2-1-3-5-19/h1-11,14-15,25-26H,12-13H2
InChIKeySAPIWWZIXOXVFF-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.36
Rot. Bonds6

About [5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone

[5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone (PubChem CID 44815448) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone
PubChem CID44815448
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name[5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cc2cc(O)ccc2n1CCO
InChIInChI=1S/C23H19NO4/c25-13-12-24-21-11-8-18(26)14-17(21)15-22(24)23(27)16-6-9-20(10-7-16)28-19-4-2-1-3-5-19/h1-11,14-15,25-26H,12-13H2
InChIKeySAPIWWZIXOXVFF-UHFFFAOYSA-N
XLogP4.36
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone (CID 44815448) is [5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)c1cc2cc(O)ccc2n1CCO.
What is the InChIKey of [5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is SAPIWWZIXOXVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-13-12-24-21-11-8-18(26)14-17(21)15-22(24)23(27)16-6-9-20(10-7-16)28-19-4-2-1-3-5-19/h1-11,14-15,25-26H,12-13H2.
What are the key properties of [5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone?
[5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 373.41 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-1-(2-hydroxyethyl)indol-2-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 44815448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).