1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one

C15H11Cl2NO3 — CID 102003511

IUPAC1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one
SMILESCOc1c(O)cc(Cl)c(N2C(=O)Cc3ccccc32)c1Cl
InChIInChI=1S/C15H11Cl2NO3/c1-21-15-11(19)7-9(16)14(13(15)17)18-10-5-3-2-4-8(10)6-12(18)20/h2-5,7,19H,6H2,1H3
InChIKeyUZTIFNARDSKLQO-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.93
Rot. Bonds2

About 1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one

1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one (PubChem CID 102003511) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one
PubChem CID102003511
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one
SMILESCOc1c(O)cc(Cl)c(N2C(=O)Cc3ccccc32)c1Cl
InChIInChI=1S/C15H11Cl2NO3/c1-21-15-11(19)7-9(16)14(13(15)17)18-10-5-3-2-4-8(10)6-12(18)20/h2-5,7,19H,6H2,1H3
InChIKeyUZTIFNARDSKLQO-UHFFFAOYSA-N
XLogP3.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methylphenyl)-3H-indol-2-one
CID 70610561
1-(2,6-dimethylphenyl)-3H-indol-2-one
CID 82044310
1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one
CID 134858041
1-(4-hydroxyphenyl)-3H-indol-2-one
CID 11977007
1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one
CID 154584834
4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one
CID 10662876
3-hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one
CID 2755139
6-chloro-1-pyridin-2-yl-3H-indol-2-one
CID 132570702
methyl 2-oxo-1-pyridin-2-yl-3H-indole-5-carboxylate
CID 132570700
1-(2,2-dichloroacetyl)-3H-indol-2-one
CID 11791397
2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
CID 64788256
2-(5-bromo-2-chlorophenyl)-4H-isoquinoline-1,3-dione
CID 62908091

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one?
The IUPAC name of 1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one (CID 102003511) is 1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one.
What is the SMILES notation for 1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one?
The canonical SMILES for 1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one is COc1c(O)cc(Cl)c(N2C(=O)Cc3ccccc32)c1Cl.
What is the InChIKey of 1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one?
The InChIKey is UZTIFNARDSKLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c1-21-15-11(19)7-9(16)14(13(15)17)18-10-5-3-2-4-8(10)6-12(18)20/h2-5,7,19H,6H2,1H3.
What are the key properties of 1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one?
1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one has a molecular weight of 324.16 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one is sourced from PubChem (CID 102003511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).