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

C17H13Cl2NO4 — CID 2023785

IUPAC(3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Cl)cc(Cl)c32)c1
InChIInChI=1S/C17H13Cl2NO4/c1-24-11-4-2-3-9(5-11)14(21)8-17(23)15-12(19)6-10(18)7-13(15)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyHXSBRIBLEIUEMK-KRWDZBQOSA-N
MW366.20 g/mol
LogP3.41
Rot. Bonds4

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

(3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 2023785) has the molecular formula C17H13Cl2NO4 and a molecular weight of 366.20 g/mol. Its IUPAC name is (3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID2023785
Molecular FormulaC17H13Cl2NO4
Molecular Weight366.20 g/mol
Exact Mass365.02
IUPAC Name(3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Cl)cc(Cl)c32)c1
InChIInChI=1S/C17H13Cl2NO4/c1-24-11-4-2-3-9(5-11)14(21)8-17(23)15-12(19)6-10(18)7-13(15)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyHXSBRIBLEIUEMK-KRWDZBQOSA-N
XLogP3.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one with MolForge

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Related Compounds

(3R)-4,6-dichloro-3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
CID 1422583
(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one
CID 957709
(3S)-3-[2-(1-adamantyl)-2-oxoethyl]-4,6-dichloro-3-hydroxy-1H-indol-2-one
CID 7529325
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903
(3S)-5-chloro-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39352069
3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 794857
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-5-methoxy-1H-indol-2-one
CID 1425954
3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one
CID 24726545
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866

Frequently Asked Questions

What is the IUPAC name of (3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of (3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one (CID 2023785) is (3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for (3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for (3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one is COc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Cl)cc(Cl)c32)c1.
What is the InChIKey of (3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is HXSBRIBLEIUEMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13Cl2NO4/c1-24-11-4-2-3-9(5-11)14(21)8-17(23)15-12(19)6-10(18)7-13(15)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
(3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 366.20 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 2023785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).