(3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one

C19H18ClNO6 — CID 39350228

IUPAC(3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one
SMILESCOc1cc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)cc(OC)c1OC
InChIInChI=1S/C19H18ClNO6/c1-25-15-6-10(7-16(26-2)17(15)27-3)14(22)9-19(24)12-8-11(20)4-5-13(12)21-18(19)23/h4-8,24H,9H2,1-3H3,(H,21,23)/t19-/m1/s1
InChIKeyIDNAJUVPZXNHSC-LJQANCHMSA-N
MW391.81 g/mol
LogP2.78
Rot. Bonds6

About (3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one

(3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one (PubChem CID 39350228) has the molecular formula C19H18ClNO6 and a molecular weight of 391.81 g/mol. Its IUPAC name is (3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one
PubChem CID39350228
Molecular FormulaC19H18ClNO6
Molecular Weight391.81 g/mol
Exact Mass391.08
IUPAC Name(3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one
SMILESCOc1cc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)cc(OC)c1OC
InChIInChI=1S/C19H18ClNO6/c1-25-15-6-10(7-16(26-2)17(15)27-3)14(22)9-19(24)12-8-11(20)4-5-13(12)21-18(19)23/h4-8,24H,9H2,1-3H3,(H,21,23)/t19-/m1/s1
InChIKeyIDNAJUVPZXNHSC-LJQANCHMSA-N
XLogP2.78
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one with MolForge

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Related Compounds

(3S)-5-bromo-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one
CID 40944624
(3R)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 796025
(3S)-5-chloro-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39352069
5-chloro-3-hydroxy-3-[2-(7-methoxy-1-benzofuran-2-yl)-2-oxoethyl]-1H-indol-2-one
CID 46360607
(3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 957686
3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3699611
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
CID 2860905
(3S)-5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 886898
3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one
CID 46360603
(3R)-5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 886897
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748

Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one?
The IUPAC name of (3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one (CID 39350228) is (3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one?
The canonical SMILES for (3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one is COc1cc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)cc(OC)c1OC.
What is the InChIKey of (3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one?
The InChIKey is IDNAJUVPZXNHSC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18ClNO6/c1-25-15-6-10(7-16(26-2)17(15)27-3)14(22)9-19(24)12-8-11(20)4-5-13(12)21-18(19)23/h4-8,24H,9H2,1-3H3,(H,21,23)/t19-/m1/s1.
What are the key properties of (3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one?
(3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one has a molecular weight of 391.81 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one is sourced from PubChem (CID 39350228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).