7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one

C18H19NO3 — CID 82172932

IUPAC7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one
SMILESCCc1cc(C(O)COc2ccccc2)cc2c1NC(=O)C2
InChIInChI=1S/C18H19NO3/c1-2-12-8-13(9-14-10-17(21)19-18(12)14)16(20)11-22-15-6-4-3-5-7-15/h3-9,16,20H,2,10-11H2,1H3,(H,19,21)
InChIKeyUYELHVYHARBDMG-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.86
Rot. Bonds5

About 7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one

7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one (PubChem CID 82172932) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one
PubChem CID82172932
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one
SMILESCCc1cc(C(O)COc2ccccc2)cc2c1NC(=O)C2
InChIInChI=1S/C18H19NO3/c1-2-12-8-13(9-14-10-17(21)19-18(12)14)16(20)11-22-15-6-4-3-5-7-15/h3-9,16,20H,2,10-11H2,1H3,(H,19,21)
InChIKeyUYELHVYHARBDMG-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one (CID 82172932) is 7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one is CCc1cc(C(O)COc2ccccc2)cc2c1NC(=O)C2.
What is the InChIKey of 7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one?
The InChIKey is UYELHVYHARBDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-12-8-13(9-14-10-17(21)19-18(12)14)16(20)11-22-15-6-4-3-5-7-15/h3-9,16,20H,2,10-11H2,1H3,(H,19,21).
What are the key properties of 7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one?
7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).