5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one

C18H19NO2 — CID 61088892

IUPAC5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
SMILESCCC(c1ccccc1)C(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H19NO2/c1-2-15(12-6-4-3-5-7-12)18(21)13-8-9-16-14(10-13)11-17(20)19-16/h3-10,15,18,21H,2,11H2,1H3,(H,19,20)
InChIKeyPMCUQQJKTVVRCS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.41
Rot. Bonds4

About 5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one

5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one (PubChem CID 61088892) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
PubChem CID61088892
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
SMILESCCC(c1ccccc1)C(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H19NO2/c1-2-15(12-6-4-3-5-7-12)18(21)13-8-9-16-14(10-13)11-17(20)19-16/h3-10,15,18,21H,2,11H2,1H3,(H,19,20)
InChIKeyPMCUQQJKTVVRCS-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
CID 82290690
5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one
CID 61097734
3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82116150
N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide
CID 170830289
methyl 3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 171895821
4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid
CID 82349920
methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one (CID 61088892) is 5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one is CCC(c1ccccc1)C(O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one?
The InChIKey is PMCUQQJKTVVRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-15(12-6-4-3-5-7-12)18(21)13-8-9-16-14(10-13)11-17(20)19-16/h3-10,15,18,21H,2,11H2,1H3,(H,19,20).
What are the key properties of 5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one?
5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61088892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).