6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione

C16H12BrNO3 — CID 60711521

IUPAC6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione
SMILESCOc1ccccc1CN1C(=O)C(=O)c2ccc(Br)cc21
InChIInChI=1S/C16H12BrNO3/c1-21-14-5-3-2-4-10(14)9-18-13-8-11(17)6-7-12(13)15(19)16(18)20/h2-8H,9H2,1H3
InChIKeyQXDZZZXXSHATHO-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.19
Rot. Bonds3

About 6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione

6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione (PubChem CID 60711521) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is 6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione
PubChem CID60711521
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC Name6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione
SMILESCOc1ccccc1CN1C(=O)C(=O)c2ccc(Br)cc21
InChIInChI=1S/C16H12BrNO3/c1-21-14-5-3-2-4-10(14)9-18-13-8-11(17)6-7-12(13)15(19)16(18)20/h2-8H,9H2,1H3
InChIKeyQXDZZZXXSHATHO-UHFFFAOYSA-N
XLogP3.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.19
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
1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione
CID 4730255
5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione
CID 18823261
1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione
CID 61356917
1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride
CID 23363958
1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
CID 61356419
6-bromo-1-but-2-ynylindole-2,3-dione
CID 62309363
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
1-benzyl-6-bromo-3-[(2-methoxyphenyl)methyl]-3H-indol-2-one
CID 139259304
6-bromo-1-(3-phenylprop-2-ynyl)indole-2,3-dione
CID 62339867
5,7-dibromo-1-[(2-propoxyphenyl)methyl]indole-2,3-dione
CID 4730312
6-bromo-1-(4-methylpentyl)indole-2,3-dione
CID 83158009

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione?
The IUPAC name of 6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione (CID 60711521) is 6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione is COc1ccccc1CN1C(=O)C(=O)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione?
The InChIKey is QXDZZZXXSHATHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO3/c1-21-14-5-3-2-4-10(14)9-18-13-8-11(17)6-7-12(13)15(19)16(18)20/h2-8H,9H2,1H3.
What are the key properties of 6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione?
6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione has a molecular weight of 346.18 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 60711521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).