(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one

C20H21NO4 — CID 7444545

IUPAC(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)C[C@]1(O)C(=O)N(CCOc2ccccc2C)c2ccccc21
InChIInChI=1S/C20H21NO4/c1-14-7-3-6-10-18(14)25-12-11-21-17-9-5-4-8-16(17)20(24,19(21)23)13-15(2)22/h3-10,24H,11-13H2,1-2H3/t20-/m1/s1
InChIKeyCCHXEUTWYKMONN-HXUWFJFHSA-N
MW339.39 g/mol
LogP2.59
Rot. Bonds6

About (3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one

(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one (PubChem CID 7444545) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
PubChem CID7444545
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)C[C@]1(O)C(=O)N(CCOc2ccccc2C)c2ccccc21
InChIInChI=1S/C20H21NO4/c1-14-7-3-6-10-18(14)25-12-11-21-17-9-5-4-8-16(17)20(24,19(21)23)13-15(2)22/h3-10,24H,11-13H2,1-2H3/t20-/m1/s1
InChIKeyCCHXEUTWYKMONN-HXUWFJFHSA-N
XLogP2.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-phenacylindol-2-one
CID 41089534
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[2-(2-methylphenoxy)ethyl]indol-2-one
CID 17131946
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]indol-2-one
CID 17172693
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]indol-2-one
CID 17172710
3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one
CID 6499622
7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 18888558
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244798
3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 45259112
(3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444829
(3R)-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 7444599
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
(3S)-1-[3-(2,4-dichlorophenoxy)propyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444610

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one (CID 7444545) is (3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one is CC(=O)C[C@]1(O)C(=O)N(CCOc2ccccc2C)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one?
The InChIKey is CCHXEUTWYKMONN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14-7-3-6-10-18(14)25-12-11-21-17-9-5-4-8-16(17)20(24,19(21)23)13-15(2)22/h3-10,24H,11-13H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one?
(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one has a molecular weight of 339.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 7444545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).