7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one

C19H26ClNO3 — CID 18888515

IUPAC7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one
SMILESCCCCCCCCN1C(=O)C(O)(CC(C)=O)c2cccc(Cl)c21
InChIInChI=1S/C19H26ClNO3/c1-3-4-5-6-7-8-12-21-17-15(10-9-11-16(17)20)19(24,18(21)23)13-14(2)22/h9-11,24H,3-8,12-13H2,1-2H3
InChIKeyBZAFHTIMZUEXJR-UHFFFAOYSA-N
MW351.87 g/mol
LogP4.21
Rot. Bonds9

About 7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one

7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one (PubChem CID 18888515) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is 7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one
PubChem CID18888515
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one
SMILESCCCCCCCCN1C(=O)C(O)(CC(C)=O)c2cccc(Cl)c21
InChIInChI=1S/C19H26ClNO3/c1-3-4-5-6-7-8-12-21-17-15(10-9-11-16(17)20)19(24,18(21)23)13-14(2)22/h9-11,24H,3-8,12-13H2,1-2H3
InChIKeyBZAFHTIMZUEXJR-UHFFFAOYSA-N
XLogP4.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-7-methyl-1-nonyl-3-(2-oxopropyl)indol-2-one
CID 18888313
(3R)-1-butyl-3-hydroxy-7-methyl-3-(2-oxopropyl)indol-2-one
CID 41254776
7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 18888558
7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889713
7'-chloro-1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889714
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
7-chloro-3-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
CID 18888556
1-butyl-3-hydroxy-4,7-dimethyl-3-(2-oxopropyl)indol-2-one
CID 18888396
4,7-dichloro-1-[(4-hexoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888600
6,7-dichloro-3-hydroxy-1-[3-(4-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 18888687
1-butyl-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 18888271
6,7-dichloro-3-hydroxy-3-(2-oxopropyl)-1-[(2-pentoxyphenyl)methyl]indol-2-one
CID 18888654

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one?
The IUPAC name of 7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one (CID 18888515) is 7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for 7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for 7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one is CCCCCCCCN1C(=O)C(O)(CC(C)=O)c2cccc(Cl)c21.
What is the InChIKey of 7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one?
The InChIKey is BZAFHTIMZUEXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO3/c1-3-4-5-6-7-8-12-21-17-15(10-9-11-16(17)20)19(24,18(21)23)13-14(2)22/h9-11,24H,3-8,12-13H2,1-2H3.
What are the key properties of 7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one?
7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one has a molecular weight of 351.87 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 18888515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).