1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione

C16H12ClNO3 — CID 61356917

IUPAC1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)C2=O
InChIInChI=1S/C16H12ClNO3/c1-21-11-6-7-12-14(8-11)18(16(20)15(12)19)9-10-4-2-3-5-13(10)17/h2-8H,9H2,1H3
InChIKeyBISGGPABTCGQMG-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.08
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione

1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione (PubChem CID 61356917) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione
PubChem CID61356917
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)C2=O
InChIInChI=1S/C16H12ClNO3/c1-21-11-6-7-12-14(8-11)18(16(20)15(12)19)9-10-4-2-3-5-13(10)17/h2-8H,9H2,1H3
InChIKeyBISGGPABTCGQMG-UHFFFAOYSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione
CID 29272245
6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356418
1-[(6-chloro-3-pyridinyl)methyl]-6-methoxyindole-2,3-dione
CID 61356241
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione
CID 61355412
1-(2-fluoroethyl)-6-methoxyindole-2,3-dione
CID 80695416
1-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methoxyindole-2,3-dione
CID 23363894
6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione
CID 60711521
1-butyl-6-methoxyindole-2,3-dione
CID 25194457
6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61356415
1-[2-(chloromethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
CID 103065739
1-[(E)-3-chloro-2-methylprop-2-enyl]-6-methoxyindole-2,3-dione
CID 106438767
1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione
CID 61354793

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione (CID 61356917) is 1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione is COc1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)C2=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione?
The InChIKey is BISGGPABTCGQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c1-21-11-6-7-12-14(8-11)18(16(20)15(12)19)9-10-4-2-3-5-13(10)17/h2-8H,9H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione?
1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione has a molecular weight of 301.73 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione is sourced from PubChem (CID 61356917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).