(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one

C19H19NO4 — CID 51612596

IUPAC(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one
SMILESCOc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(C)cc(C)cc32)cc1
InChIInChI=1S/C19H19NO4/c1-11-8-12(2)17-15(9-11)19(23,18(22)20-17)10-16(21)13-4-6-14(24-3)7-5-13/h4-9,23H,10H2,1-3H3,(H,20,22)/t19-/m0/s1
InChIKeyGRXJTDLWAVCOSZ-IBGZPJMESA-N
MW325.36 g/mol
LogP2.72
Rot. Bonds4

About (3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one

(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one (PubChem CID 51612596) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one
PubChem CID51612596
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one
SMILESCOc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(C)cc(C)cc32)cc1
InChIInChI=1S/C19H19NO4/c1-11-8-12(2)17-15(9-11)19(23,18(22)20-17)10-16(21)13-4-6-14(24-3)7-5-13/h4-9,23H,10H2,1-3H3,(H,20,22)/t19-/m0/s1
InChIKeyGRXJTDLWAVCOSZ-IBGZPJMESA-N
XLogP2.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3699611
(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425949
3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
CID 2976940
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-5-methoxy-1H-indol-2-one
CID 1425954
3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360616
(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 796109
1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 17077705
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 1320855
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358
3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 3149315
5-bromo-3-hydroxy-7-methyl-3-(2-oxopropyl)-1H-indol-2-one
CID 52983472
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one (CID 51612596) is (3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one is COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(C)cc(C)cc32)cc1.
What is the InChIKey of (3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one?
The InChIKey is GRXJTDLWAVCOSZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19NO4/c1-11-8-12(2)17-15(9-11)19(23,18(22)20-17)10-16(21)13-4-6-14(24-3)7-5-13/h4-9,23H,10H2,1-3H3,(H,20,22)/t19-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one?
(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one has a molecular weight of 325.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one is sourced from PubChem (CID 51612596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).