4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one

C16H11Cl2NO4 — CID 664316

IUPAC4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccccc1O
InChIInChI=1S/C16H11Cl2NO4/c17-8-5-10(18)14-11(6-8)19-15(22)16(14,23)7-13(21)9-3-1-2-4-12(9)20/h1-6,20,23H,7H2,(H,19,22)
InChIKeyANMVGOIPBGNMHQ-UHFFFAOYSA-N
MW352.17 g/mol
LogP3.11
Rot. Bonds3

About 4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one

4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 664316) has the molecular formula C16H11Cl2NO4 and a molecular weight of 352.17 g/mol. Its IUPAC name is 4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID664316
Molecular FormulaC16H11Cl2NO4
Molecular Weight352.17 g/mol
Exact Mass351.01
IUPAC Name4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccccc1O
InChIInChI=1S/C16H11Cl2NO4/c17-8-5-10(18)14-11(6-8)19-15(22)16(14,23)7-13(21)9-3-1-2-4-12(9)20/h1-6,20,23H,7H2,(H,19,22)
InChIKeyANMVGOIPBGNMHQ-UHFFFAOYSA-N
XLogP3.11
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 326411
3-Hydroxy-3-(2-(2-hydroxyphenyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one
CID 359743
5-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
CID 3150809
5-Chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 46360604
5,7-Dichloro-3-hydroxy-3-(2-(4-hydroxyphenyl)-1-methyl-2-oxoethyl)-1,3-dihydro-2H-indol-2-one
CID 366622
4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 3152131
4-chloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-7-methyl-1,3-dihydro-2H-indol-2-one
CID 655686
3-[2-(4-chlorophenyl)-2-oxoethyl]-3,5-dihydroxy-1H-indol-2-one
CID 72735027
3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 359735
4,6-dichloro-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one
CID 10132283
4,7-dichloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 89863706
4-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 89863736

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of 4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one (CID 664316) is 4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for 4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for 4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccccc1O.
What is the InChIKey of 4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is ANMVGOIPBGNMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO4/c17-8-5-10(18)14-11(6-8)19-15(22)16(14,23)7-13(21)9-3-1-2-4-12(9)20/h1-6,20,23H,7H2,(H,19,22).
What are the key properties of 4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one?
4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 352.17 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 664316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).