4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione

C13H13Cl2NO3 — CID 106988649

IUPAC4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCO)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C13H13Cl2NO3/c14-8-4-5-9(15)11-10(8)12(18)13(19)16(11)6-2-1-3-7-17/h4-5,17H,1-3,6-7H2
InChIKeyBZNULCFOCPENKL-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.69
Rot. Bonds5

About 4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione

4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione (PubChem CID 106988649) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione.

Molecular Properties

Compound Name4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione
PubChem CID106988649
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCO)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C13H13Cl2NO3/c14-8-4-5-9(15)11-10(8)12(18)13(19)16(11)6-2-1-3-7-17/h4-5,17H,1-3,6-7H2
InChIKeyBZNULCFOCPENKL-UHFFFAOYSA-N
XLogP2.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,7-dichloro-1-hexylindole-2,3-dione
CID 106988640
1-(4-bromobutyl)-4,7-dichloroindole-2,3-dione
CID 106988596
2-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]prop-2-enoic acid
CID 106988578
4,7-dichloro-1-(2-methylsulfonylethyl)indole-2,3-dione
CID 106988843
4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione
CID 106988691
4,7-dichloro-1-(3-methylbut-2-enyl)indole-2,3-dione
CID 106988651
(E)-4-(4,7-dichloro-2,3-dioxoindol-1-yl)but-2-enoic acid
CID 106988554
1-butyl-4-chloro-7-fluoroindole-2,3-dione
CID 61358887
4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 106988637
propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate
CID 106988552
6-chloro-1-(5-hydroxypentyl)indole-2,3-dione
CID 55134041
7-bromo-1-(5-hydroxypentyl)indole-2,3-dione
CID 62226920

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione?
The IUPAC name of 4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione (CID 106988649) is 4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione.
What is the SMILES notation for 4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione?
The canonical SMILES for 4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione is O=C1C(=O)N(CCCCCO)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione?
The InChIKey is BZNULCFOCPENKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-8-4-5-9(15)11-10(8)12(18)13(19)16(11)6-2-1-3-7-17/h4-5,17H,1-3,6-7H2.
What are the key properties of 4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione?
4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione has a molecular weight of 302.16 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione is sourced from PubChem (CID 106988649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).