3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one

C28H23NO4 — CID 17131923

IUPAC3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCOc2ccccc2)c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C28H23NO4/c30-26(23-14-8-10-20-9-4-5-13-22(20)23)19-28(32)24-15-6-7-16-25(24)29(27(28)31)17-18-33-21-11-2-1-3-12-21/h1-16,32H,17-19H2
InChIKeySTSZSFQEECFZEA-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.73
Rot. Bonds7

About 3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one

3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one (PubChem CID 17131923) has the molecular formula C28H23NO4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one
PubChem CID17131923
Molecular FormulaC28H23NO4
Molecular Weight437.50 g/mol
Exact Mass437.16
IUPAC Name3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCOc2ccccc2)c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C28H23NO4/c30-26(23-14-8-10-20-9-4-5-13-22(20)23)19-28(32)24-15-6-7-16-25(24)29(27(28)31)17-18-33-21-11-2-1-3-12-21/h1-16,32H,17-19H2
InChIKeySTSZSFQEECFZEA-UHFFFAOYSA-N
XLogP4.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
CID 17131925
(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 798655
3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-prop-2-ynylindol-2-one
CID 2916006
(3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-prop-2-ynylindol-2-one
CID 1321563
(3S)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244744
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
CID 17131930
3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
CID 17172772
(3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
CID 40899465
3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 45259112
3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3759443
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244798
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 1252411

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one (CID 17131923) is 3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one is O=C(CC1(O)C(=O)N(CCOc2ccccc2)c2ccccc21)c1cccc2ccccc12.
What is the InChIKey of 3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one?
The InChIKey is STSZSFQEECFZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO4/c30-26(23-14-8-10-20-9-4-5-13-22(20)23)19-28(32)24-15-6-7-16-25(24)29(27(28)31)17-18-33-21-11-2-1-3-12-21/h1-16,32H,17-19H2.
What are the key properties of 3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one?
3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one has a molecular weight of 437.50 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one is sourced from PubChem (CID 17131923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).