3-hydroxy-3-octyl-1H-indol-2-one

C16H23NO2 — CID 83036797

IUPAC3-hydroxy-3-octyl-1H-indol-2-one
SMILESCCCCCCCCC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C16H23NO2/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14(13)17-15(16)18/h7-8,10-11,19H,2-6,9,12H2,1H3,(H,17,18)
InChIKeyRJCWXXJCSOMMRR-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.58
Rot. Bonds7

About 3-hydroxy-3-octyl-1H-indol-2-one

3-hydroxy-3-octyl-1H-indol-2-one (PubChem CID 83036797) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-hydroxy-3-octyl-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-octyl-1H-indol-2-one
PubChem CID83036797
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-hydroxy-3-octyl-1H-indol-2-one
SMILESCCCCCCCCC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C16H23NO2/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14(13)17-15(16)18/h7-8,10-11,19H,2-6,9,12H2,1H3,(H,17,18)
InChIKeyRJCWXXJCSOMMRR-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
3-fluoro-3-heptyl-1H-quinoline-2,4-dione
CID 2784364
5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one
CID 141465861
methyl 3-(3-hydroxy-2-oxo-1H-indol-3-yl)propanoate
CID 14903574
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
4,4-dipentyl-1H-3,1-benzoxazin-2-one
CID 70402861
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
CID 11658413
3-hydroxy-3-[(E)-2-oxohept-3-enyl]-1H-indol-2-one
CID 134155899
(2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid
CID 177489818
3-bromo-3-hexyl-1H-quinoline-2,4-dione
CID 10403960
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
(3aS,9bR)-1,3a-dibutyl-9b-hydroxy-3-methyl-5H-imidazo[4,5-c]quinoline-2,4-dione
CID 11624373

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-octyl-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-octyl-1H-indol-2-one (CID 83036797) is 3-hydroxy-3-octyl-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-octyl-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-octyl-1H-indol-2-one is CCCCCCCCC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-hydroxy-3-octyl-1H-indol-2-one?
The InChIKey is RJCWXXJCSOMMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14(13)17-15(16)18/h7-8,10-11,19H,2-6,9,12H2,1H3,(H,17,18).
What are the key properties of 3-hydroxy-3-octyl-1H-indol-2-one?
3-hydroxy-3-octyl-1H-indol-2-one has a molecular weight of 261.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-octyl-1H-indol-2-one is sourced from PubChem (CID 83036797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).