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

C18H19NO3 — CID 82172491

IUPAC7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc(C(O)COc2ccccc2)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C18H19NO3/c1-11-8-14-12(2)18(21)19-17(14)15(9-11)16(20)10-22-13-6-4-3-5-7-13/h3-9,12,16,20H,10H2,1-2H3,(H,19,21)
InChIKeyNAPQPMUEJPBMMW-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.16
Rot. Bonds4

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

7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82172491) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
PubChem CID82172491
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc(C(O)COc2ccccc2)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C18H19NO3/c1-11-8-14-12(2)18(21)19-17(14)15(9-11)16(20)10-22-13-6-4-3-5-7-13/h3-9,12,16,20H,10H2,1-2H3,(H,19,21)
InChIKeyNAPQPMUEJPBMMW-UHFFFAOYSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one
CID 82173417
7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172446
7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172449
5-ethyl-7-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
CID 82172640
7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one
CID 82172932
7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173235
1-(2-aminophenyl)-2-phenoxyethanol
CID 55055640
5-[amino(phenyl)methyl]-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172771
5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one
CID 82173107
1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 62714978
7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82190537
7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one
CID 82172971

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one (CID 82172491) is 7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one is Cc1cc(C(O)COc2ccccc2)c2c(c1)C(C)C(=O)N2.
What is the InChIKey of 7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is NAPQPMUEJPBMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-8-14-12(2)18(21)19-17(14)15(9-11)16(20)10-22-13-6-4-3-5-7-13/h3-9,12,16,20H,10H2,1-2H3,(H,19,21).
What are the key properties of 7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 297.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxy-2-phenoxyethyl)-3,5-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).